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

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C25H19ClN2O3 MolecularWeight: 430.88296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H19ClN2O3/c1-16-11-12-18(13-21(16)26)27-24(29)15-31-25(30)20-14-23(17-7-3-2-4-8-17)28-22-10-6-5-9-19(20)22/h2-14H,15H2,1H3,(H,27,29)