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

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H26ClNO4 MolecularWeight: 536.01684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H26ClNO4/c1-21-30(33(37)39-22(2)32(36)25-12-16-26(34)17-13-25)28-10-6-7-11-29(28)35-31(21)24-14-18-27(19-15-24)38-20-23-8-4-3-5-9-23/h3-19,22H,20H2,1-2H3