[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C30H30N2O3 MolecularWeight: 466.5708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O3/c1-3-26-22(2)29(25-16-10-11-17-27(25)31-26)30(34)35-21-28(33)32(20-24-14-8-5-9-15-24)19-18-23-12-6-4-7-13-23/h4-17H,3,18-21H2,1-2H3