[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 3,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,8-dimethyl-cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C33H25Cl2NO4 MolecularWeight: 570.4619

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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)OCC(=O)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C33H25Cl2NO4/c1-20-7-6-10-27-30(33(38)40-19-29(37)26-16-13-24(34)17-28(26)35)21(2)32(36-31(20)27)23-11-14-25(15-12-23)39-18-22-8-4-3-5-9-22/h3-17H,18-19H2,1-2H3