(phenylmethyl) 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)N4CCN(CC4=O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)N4CCN(CC4=O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H33N3O4/c31-26-19-29(27(32)33-20-21-5-2-1-3-6-21)17-18-30(26)23-9-11-24(12-10-23)34-25-13-15-28(16-14-25)22-7-4-8-22/h1-3,5-6,9-12,22,25H,4,7-8,13-20H2