[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-keto-2-[4-(1-phenylethyl)piperazino]ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2CCN(CC2)C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2CCN(CC2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-3-28-21-19(10-7-11-23-21)22(27)29-16-20(26)25-14-12-24(13-15-25)17(2)18-8-5-4-6-9-18/h4-11,17H,3,12-16H2,1-2H3