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1258639-06-3 | Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,2-dihydro-6-methoxy-2-oxo-, 1,1-dimethylethyl ester
CAS No: 1258639-06-3 Catalog No: AG000OVP MDL No:
Product Description
Catalog Number:
AG000OVP
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,2-dihydro-6-methoxy-2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1258639-06-3
Molecular Formula:
C18H24N2O4
Molecular Weight:
332.3942
IUPAC Name:
tert-butyl 6-methoxy-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H24N2O4/c1-17(2,3)24-16(22)20-9-7-18(8-10-20)13-6-5-12(23-4)11-14(13)19-15(18)21/h5-6,11H,7-10H2,1-4H3,(H,19,21)
InChI Key:
FYBAPTXYFURDAZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)NC(=O)C12CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.4g/mol
Monoisotopic Mass:
332.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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