phenacyl 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-butylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-8-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-butylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-8-methyl-cinchoninic acid phenacyl ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO3/c1-3-4-10-21-14-16-22(17-15-21)26-18-25(24-13-8-9-20(2)28(24)30-26)29(32)33-19-27(31)23-11-6-5-7-12-23/h5-9,11-18H,3-4,10,19H2,1-2H3