[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O3/c1-20-17-26(21(2)33(20)3)30(34)19-36-31(35)27-18-29(32-28-12-8-7-11-25(27)28)24-15-13-23(14-16-24)22-9-5-4-6-10-22/h4-18H,19H2,1-3H3