[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C25H27N3O3/c1-19(31-25(30)22-8-10-23(11-9-22)28-15-5-14-26-28)24(29)27-16-12-21(13-17-27)18-20-6-3-2-4-7-20/h2-11,14-15,19,21H,12-13,16-18H2,1H3/t19-/m0/s1