[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H21ClN2O4/c1-3-29-22-18(10-7-13-25-22)23(28)30-20(16-8-5-4-6-9-16)21(27)26-17-12-11-15(2)19(24)14-17/h4-14,20H,3H2,1-2H3,(H,26,27)