(phenylmethyl) 2-(2-ethoxy-2-oxidanylidene-ethyl)-4-(2-methylpyridin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-ethoxy-2-oxidanylidene-ethyl)-4-(2-methylpyridin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-(2-ethoxy-2-oxo-ethyl)-4-(2-methyl-4-pyridyl)piperazine-1-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethyl)-4-(2-methyl-4-pyridinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-ethoxy-2-oxoethyl)-4-(2-methylpyridin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-4-(2-methyl-4-pyridyl)piperazine-1-carboxylic acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=CC(=NC=C3)C

Isomeric SMILES

CCOC(=O)CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=CC(=NC=C3)C

InChI

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