phenacyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)cinchoninic acid phenacyl ester Formula: C26H21NO3 MolecularWeight: 395.44984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H21NO3/c1-17-12-13-20(14-18(17)2)24-15-22(21-10-6-7-11-23(21)27-24)26(29)30-16-25(28)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3