[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-6-methyl-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3-methoxyphenyl)-6-methyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C28H23ClFNO4 MolecularWeight: 491.937923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H23ClFNO4/c1-17-6-11-24-22(14-17)23(16-25(31-24)19-4-3-5-21(15-19)34-2)28(33)35-26(12-13-29)27(32)18-7-9-20(30)10-8-18/h3-11,14-16,26H,12-13H2,1-2H3