(phenylmethyl) 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[[4-(ethoxycarbonylamino)-4-piperidyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-(ethoxycarbonylamino)-4-piperidinyl]methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[[4-(carbethoxyamino)-4-piperidyl]methyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCNCC1)CN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC1(CCNCC1)CN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O5/c1-2-29-19(27)23-21(8-10-22-11-9-21)16-25-13-12-24(14-18(25)26)20(28)30-15-17-6-4-3-5-7-17/h3-7,22H,2,8-16H2,1H3,(H,23,27)