(2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O6/c24-19(22-15-4-2-1-3-5-15)13-29-21(26)14-10-20(25)23(12-14)16-6-7-17-18(11-16)28-9-8-27-17/h1-7,11,14H,8-10,12-13H2,(H,22,24)/t14-/m0/s1