[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-19-11-14-26-28(19)23-9-7-22(8-10-23)25(30)31-18-24(29)27-15-12-21(13-16-27)17-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-18H2,1H3