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

Systemtic Name: [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[benzyl(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(CCOC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N(CCOC)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-4-21-18(2)24(20-12-8-9-13-22(20)26-21)25(29)31-17-23(28)27(14-15-30-3)16-19-10-6-5-7-11-19/h5-13H,4,14-17H2,1-3H3