[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-ethoxypyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

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