methyl (2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxidanylidene-pyrrolidin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxidanylidene-pyrrolidin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxo-pyrrolidin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxo-1-pyrrolidinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxopyrrolidin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-keto-pyrrolidino]-3-phenyl-propionic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C(CCC2=O)N3NC4C=CC=CC4=N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N2C(CCC2=O)N3NC4C=CC=CC4=N3

InChI

InChI=1S/C20H22N4O3/c1-27-20(26)17(13-14-7-3-2-4-8-14)23-18(11-12-19(23)25)24-21-15-9-5-6-10-16(15)22-24/h2-10,15,17-18,21H,11-13H2,1H3/t15?,17-,18?/m0/s1