[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [4-(3-methylanilino)-4-oxo-butyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [4-(3-methylanilino)-4-oxobutyl] ester IUPAC Name: [4-(3-methylanilino)-4-oxobutyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [4-keto-4-(m-toluidino)butyl] ester Formula: C27H23FN2O3 MolecularWeight: 442.481523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H23FN2O3/c1-18-6-4-7-21(16-18)29-26(31)10-5-15-33-27(32)23-17-25(19-11-13-20(28)14-12-19)30-24-9-3-2-8-22(23)24/h2-4,6-9,11-14,16-17H,5,10,15H2,1H3,(H,29,31)