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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C29H27NO6/c1-17-10-11-18(2)21(12-17)25(31)16-36-29(32)22-15-24(30-23-9-7-6-8-20(22)23)19-13-26(33-3)28(35-5)27(14-19)34-4/h6-15H,16H2,1-5H3