phenacyl 2-(4-heptylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-heptylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-heptylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-heptylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-heptylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-heptylphenyl)cinchoninic acid phenacyl ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H31NO3/c1-2-3-4-5-7-12-23-17-19-24(20-18-23)29-21-27(26-15-10-11-16-28(26)32-29)31(34)35-22-30(33)25-13-8-6-9-14-25/h6,8-11,13-21H,2-5,7,12,22H2,1H3