[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C27H21ClFNO3 MolecularWeight: 461.911943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H21ClFNO3/c1-17-25(27(32)33-15-5-10-24(31)18-11-13-21(29)14-12-18)22-8-2-3-9-23(22)30-26(17)19-6-4-7-20(28)16-19/h2-4,6-9,11-14,16H,5,10,15H2,1H3