[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O7/c1-27-16-5-3-2-4-15(16)23-10-13(8-20(23)25)21(26)28-11-19(24)22-14-6-7-17-18(9-14)30-12-29-17/h2-7,9,13H,8,10-12H2,1H3,(H,22,24)/t13-/m0/s1