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

Systemtic Name: phenacyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid phenacyl ester Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H27NO3/c32-29(24-11-5-2-6-12-24)20-34-30(33)26-19-28(31-27-14-8-7-13-25(26)27)23-17-15-22(16-18-23)21-9-3-1-4-10-21/h2,5-8,11-19,21H,1,3-4,9-10,20H2