[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-19-16-20(2)29(27-19)24-10-8-23(9-11-24)26(31)32-18-25(30)28-14-12-22(13-15-28)17-21-6-4-3-5-7-21/h3-11,16,22H,12-15,17-18H2,1-2H3