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81455-43-8 | Benzoic acid, 3-(benzoylamino)-4-(4-methoxyphenoxy)-, ethyl ester
CAS No: 81455-43-8 Catalog No: AG005KJT MDL No:
Product Description
Catalog Number:
AG005KJT
Chemical Name:
Benzoic acid, 3-(benzoylamino)-4-(4-methoxyphenoxy)-, ethyl ester
CAS Number:
81455-43-8
Molecular Formula:
C23H21NO5
Molecular Weight:
391.4165
IUPAC Name:
ethyl 3-benzamido-4-(4-methoxyphenoxy)benzoate
InChI:
InChI=1S/C23H21NO5/c1-3-28-23(26)17-9-14-21(29-19-12-10-18(27-2)11-13-19)20(15-17)24-22(25)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,24,25)
InChI Key:
OLVXGQGWRZWGHQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)NC(=O)c1ccccc1)Oc1ccc(cc1)OC
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.142g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.423g/mol
Monoisotopic Mass:
391.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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