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

Systemtic Name: (phenylmethyl) 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]-(2-methylpyridin-4-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[[4-(ethoxycarbonylamino)-4-piperidyl]-(2-methyl-4-pyridyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-(ethoxycarbonylamino)-4-piperidinyl]-(2-methyl-4-pyridinyl)methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-(ethoxycarbonylamino)piperidin-4-yl]-(2-methylpyridin-4-yl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[[4-(carbethoxyamino)-4-piperidyl]-(2-methyl-4-pyridyl)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(CCNCC1)C(C2=CC(=NC=C2)C)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)NC1(CCNCC1)C(C2=CC(=NC=C2)C)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

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