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

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-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-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C29H24N2O3 MolecularWeight: 448.51246

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H24N2O3/c1-18-15-24(19(2)31(18)3)28(32)17-34-29(33)25-16-27(30-26-14-7-6-12-23(25)26)22-13-8-10-20-9-4-5-11-21(20)22/h4-16H,17H2,1-3H3