(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-6-methyl-cinchoninic acid 1-benzoylpropyl ester Formula: C29H27NO3 MolecularWeight: 437.52958

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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)OC(CC)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO3/c1-4-20-12-14-21(15-13-20)26-18-24(23-17-19(3)11-16-25(23)30-26)29(32)33-27(5-2)28(31)22-9-7-6-8-10-22/h6-18,27H,4-5H2,1-3H3