[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-ethyl-3-methyl-cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C35H30ClNO4 MolecularWeight: 564.07

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C35H30ClNO4/c1-4-24-13-18-31-30(19-24)32(35(39)41-23(3)34(38)27-11-8-12-28(36)20-27)22(2)33(37-31)26-14-16-29(17-15-26)40-21-25-9-6-5-7-10-25/h5-20,23H,4,21H2,1-3H3