(phenylmethyl) 3-oxidanylidene-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-oxidanylidene-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 3-oxo-4-[4-[(1-propan-2-yl-4-piperidinyl)oxy]phenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-oxo-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4/c1-20(2)27-14-12-24(13-15-27)33-23-10-8-22(9-11-23)29-17-16-28(18-25(29)30)26(31)32-19-21-6-4-3-5-7-21/h3-11,20,24H,12-19H2,1-2H3