methyl (2R)-2-[2-(benzotriazol-1-yl)-5-oxidanylidene-pyrrolidin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-(benzotriazol-1-yl)-5-oxidanylidene-pyrrolidin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[2-(benzotriazol-1-yl)-5-oxo-pyrrolidin-1-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[2-(1-benzotriazolyl)-5-oxo-1-pyrrolidinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[2-(benzotriazol-1-yl)-5-oxopyrrolidin-1-yl]-3-phenylpropanoate Traditional Name: (2R)-2-[2-(benzotriazol-1-yl)-5-keto-pyrrolidino]-3-phenyl-propionic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C(CCC2=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)N2C(CCC2=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)17(13-14-7-3-2-4-8-14)23-18(11-12-19(23)25)24-16-10-6-5-9-15(16)21-22-24/h2-10,17-18H,11-13H2,1H3/t17-,18?/m1/s1