[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CN=CC=C3)Cl

InChI

InChI=1S/C21H17ClN2O4/c1-27-18-10-9-16(12-17(18)22)24-20(25)19(14-6-3-2-4-7-14)28-21(26)15-8-5-11-23-13-15/h2-13,19H,1H3,(H,24,25)/t19-/m0/s1