[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 3,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,8-dimethyl-cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C34H28ClNO4 MolecularWeight: 550.04342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C34H28ClNO4/c1-21-9-7-14-29-30(34(38)40-23(3)33(37)26-12-8-13-27(35)19-26)22(2)32(36-31(21)29)25-15-17-28(18-16-25)39-20-24-10-5-4-6-11-24/h4-19,23H,20H2,1-3H3