3-(1H-imidazol-5-yl)-2-[2-oxidanylidene-3-(phenylmethyl)pyrrolidin-1-yl]propanoate

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-oxidanylidene-3-(phenylmethyl)pyrrolidin-1-yl]propanoate Openeye Name: 2-(3-benzyl-2-oxo-pyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[2-oxo-3-(phenylmethyl)-1-pyrrolidinyl]propanoate IUPAC Name: 2-(3-benzyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(3-benzyl-2-keto-pyrrolidino)-3-(1H-imidazol-5-yl)propionate Formula: C17H18N3O3- MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)[O-]

Isomeric SMILES

C1CN(C(=O)C1CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)[O-]

InChI

InChI=1S/C17H19N3O3/c21-16-13(8-12-4-2-1-3-5-12)6-7-20(16)15(17(22)23)9-14-10-18-11-19-14/h1-5,10-11,13,15H,6-9H2,(H,18,19)(H,22,23)/p-1