1-(2-azanyl-2-oxidanylidene-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 1-(2-amino-2-oxo-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 1-(2-amino-2-oxoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-amino-2-oxoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 1-(2-amino-2-keto-ethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2CC(=O)N)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2CC(=O)N)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-27-14-5-2-12(3-6-14)20-19(21(25)26)15(9-23(20)10-18(22)24)13-4-7-16-17(8-13)29-11-28-16/h2-8,15,19-20H,9-11H2,1H3,(H2,22,24)(H,25,26)