[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-ethylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-ethylquinoline-4-carboxylate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-ethylquinoline-4-carboxylate CAS Name: 2-ethyl-4-quinolinecarboxylic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-ethylquinoline-4-carboxylate Traditional Name: 2-ethylcinchoninic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O3/c1-2-24-19-26(25-15-9-10-16-27(25)30-24)29(33)34-21-28(32)31(20-23-13-7-4-8-14-23)18-17-22-11-5-3-6-12-22/h3-16,19H,2,17-18,20-21H2,1H3