[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H20N4O4/c19-17(24)15-4-1-2-10-21(15)16(23)12-26-18(25)13-5-7-14(8-6-13)22-11-3-9-20-22/h3,5-9,11,15H,1-2,4,10,12H2,(H2,19,24)/t15-/m1/s1