[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H22Cl2N2O3 MolecularWeight: 493.38118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C27H22Cl2N2O3/c1-3-22-16(2)24(21-11-7-8-12-23(21)31-22)27(33)34-25(17-9-5-4-6-10-17)26(32)30-20-14-18(28)13-19(29)15-20/h4-15,25H,3H2,1-2H3,(H,30,32)