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1017789-37-5 | 1-Piperidinecarboxylic acid, 3-[3-methoxy-3-oxo-2-[[(phenylmethoxy)carbonyl]amino]-1-propen-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1017789-37-5 Catalog No: AG0005KA MDL No:
Product Description
Catalog Number:
AG0005KA
Chemical Name:
1-Piperidinecarboxylic acid, 3-[3-methoxy-3-oxo-2-[[(phenylmethoxy)carbonyl]amino]-1-propen-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1017789-37-5
Molecular Formula:
C22H30N2O6
Molecular Weight:
418.4834
IUPAC Name:
tert-butyl 3-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]piperidine-1-carboxylate
InChI:
InChI=1S/C22H30N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,13,17H,8,11-12,14-15H2,1-4H3,(H,23,26)
InChI Key:
NRYCEDLIBBREMO-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC1CCCN(C1)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.21g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.49g/mol
Monoisotopic Mass:
418.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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