[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-(4-sec-butylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butan-2-ylphenyl)-4-quinolinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-sec-butylphenyl)cinchoninic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C30H26N2O3 MolecularWeight: 462.53904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C30H26N2O3/c1-3-19(2)20-12-14-21(15-13-20)28-16-24(22-8-5-7-11-27(22)32-28)30(34)35-18-29(33)25-17-31-26-10-6-4-9-23(25)26/h4-17,19,31H,3,18H2,1-2H3