(phenylmethyl) 4-[[4-(ethoxycarbonylamino)-1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-(ethoxycarbonylamino)-1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[[4-(ethoxycarbonylamino)-1-(2-methyl-4-pyridyl)-4-piperidyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-(ethoxycarbonylamino)-1-(2-methyl-4-pyridinyl)-4-piperidinyl]methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-(ethoxycarbonylamino)-1-(2-methylpyridin-4-yl)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[[4-(carbethoxyamino)-1-(2-methyl-4-pyridyl)-4-piperidyl]methyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCN(CC1)C2=CC(=NC=C2)C)CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C2=CC(=NC=C2)C)CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O5/c1-3-36-25(34)29-27(10-13-30(14-11-27)23-9-12-28-21(2)17-23)20-32-16-15-31(18-24(32)33)26(35)37-19-22-7-5-4-6-8-22/h4-9,12,17H,3,10-11,13-16,18-20H2,1-2H3,(H,29,34)