[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-methoxyquinoline-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-methoxyquinoline-2-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 6-methoxyquinoline-2-carboxylate CAS Name: 6-methoxy-2-quinolinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 6-methoxyquinoline-2-carboxylate Traditional Name: 6-methoxyquinaldic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC4=C(C=C3)C=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC4=C(C=C3)C=C(C=C4)OC)Cl

InChI

InChI=1S/C26H21ClN2O4/c1-16-8-10-19(15-21(16)27)28-25(30)24(17-6-4-3-5-7-17)33-26(31)23-12-9-18-14-20(32-2)11-13-22(18)29-23/h3-15,24H,1-2H3,(H,28,30)