phenacyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-6-methyl-cinchoninic acid phenacyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-3-19-10-12-20(13-11-19)25-16-23(22-15-18(2)9-14-24(22)28-25)27(30)31-17-26(29)21-7-5-4-6-8-21/h4-16H,3,17H2,1-2H3