[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O5/c1-4-31(18-20-10-6-5-7-11-20)28(32)19-36-29(33)23-17-25(30-24-13-9-8-12-22(23)24)21-14-15-26(34-2)27(16-21)35-3/h5-17H,4,18-19H2,1-3H3