[(2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxidanylidene-pyrrolidin-1-yl]-2-phenyl-ethyl] ethanoate

Systemtic Name: [(2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxidanylidene-pyrrolidin-1-yl]-2-phenyl-ethyl] ethanoate Openeye Name: [(2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxo-pyrrolidin-1-yl]-2-phenyl-ethyl] acetate CAS Name: acetic acid [(2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxo-1-pyrrolidinyl]-2-phenylethyl] ester IUPAC Name: [(2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-oxopyrrolidin-1-yl]-2-phenylethyl] acetate Traditional Name: acetic acid [(2S)-2-[2-(1,7a-dihydrobenzotriazol-2-yl)-5-keto-pyrrolidino]-2-phenyl-ethyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=CC=C1)N2C(CCC2=O)N3NC4C=CC=CC4=N3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-14(25)27-13-18(15-7-3-2-4-8-15)23-19(11-12-20(23)26)24-21-16-9-5-6-10-17(16)22-24/h2-10,16,18-19,21H,11-13H2,1H3/t16?,18-,19?/m1/s1