[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)C(=O)N

InChI

InChI=1S/C19H21N3O4/c20-18(24)15-4-3-11-22(12-15)17(23)13-26-19(25)14-5-7-16(8-6-14)21-9-1-2-10-21/h1-2,5-10,15H,3-4,11-13H2,(H2,20,24)/t15-/m1/s1