[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C31H32N2O6/c1-6-19(2)20-11-13-22(14-12-20)32-29(34)18-39-31(35)24-17-26(33-25-10-8-7-9-23(24)25)21-15-27(36-3)30(38-5)28(16-21)37-4/h7-17,19H,6,18H2,1-5H3,(H,32,34)