[2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C28H25NO3/c1-3-9-20-14-16-21(17-15-20)25(30)18-32-28(31)26-19(2)27(22-10-5-4-6-11-22)29-24-13-8-7-12-23(24)26/h4-8,10-17H,3,9,18H2,1-2H3