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

Systemtic Name: phenacyl 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-hexylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-hexylphenyl)-6-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-hexylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-hexylphenyl)-6-methyl-cinchoninic acid phenacyl ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=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/C31H31NO3/c1-3-4-5-7-10-23-14-16-24(17-15-23)29-20-27(26-19-22(2)13-18-28(26)32-29)31(34)35-21-30(33)25-11-8-6-9-12-25/h6,8-9,11-20H,3-5,7,10,21H2,1-2H3