methyl 2-azanyl-3-[4-[5-chloranyl-2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[4-[5-chloranyl-2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-(1-benzyl-5-chloro-2-oxo-3-pyridyl)phenyl]propanoate CAS Name: 2-amino-3-[4-[5-chloro-2-oxo-1-(phenylmethyl)-3-pyridinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-(1-benzyl-5-chloro-2-oxopyridin-3-yl)phenyl]propanoate Traditional Name: 2-amino-3-[4-(1-benzyl-5-chloro-2-keto-3-pyridyl)phenyl]propionic acid methyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC(=CN(C2=O)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C2=CC(=CN(C2=O)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H21ClN2O3/c1-28-22(27)20(24)11-15-7-9-17(10-8-15)19-12-18(23)14-25(21(19)26)13-16-5-3-2-4-6-16/h2-10,12,14,20H,11,13,24H2,1H3