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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCCCC1=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/c1-5-6-9-20-12-14-22(15-13-20)32-29(34)19-39-31(35)24-18-26(33-25-11-8-7-10-23(24)25)21-16-27(36-2)30(38-4)28(17-21)37-3/h7-8,10-18H,5-6,9,19H2,1-4H3,(H,32,34)