[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=C(C=C3)C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H31NO3/c1-5-9-26-24(6-2)28(25-10-7-8-11-27(25)32-26)31(34)35-30(23-18-14-21(4)15-19-23)29(33)22-16-12-20(3)13-17-22/h7-8,10-19,30H,5-6,9H2,1-4H3