[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 7-chloranyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 7-chloranyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 7-chloro-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(4-fluorophenyl)-8-methyl-4-quinolinecarboxylic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 7-chloro-2-(4-fluorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(4-fluorophenyl)-8-methyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H25ClFNO4 MolecularWeight: 554.007303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)F)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C33H25ClFNO4/c1-20-29(34)17-16-27-28(18-30(36-31(20)27)23-8-12-25(35)13-9-23)33(38)40-21(2)32(37)24-10-14-26(15-11-24)39-19-22-6-4-3-5-7-22/h3-18,21H,19H2,1-2H3