phenacyl 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-benzyloxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6-dimethyl-cinchoninic acid phenacyl ester Formula: C33H27NO4 MolecularWeight: 501.57178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H27NO4/c1-22-13-18-29-28(19-22)31(33(36)38-21-30(35)25-11-7-4-8-12-25)23(2)32(34-29)26-14-16-27(17-15-26)37-20-24-9-5-3-6-10-24/h3-19H,20-21H2,1-2H3