4-(1,3-benzodioxol-5-yl)-1-ethanoyl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-ethanoyl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 1-acetyl-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 1-acetyl-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-acetyl-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 1-acetyl-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO6/c1-12(23)22-10-16(14-5-8-17-18(9-14)28-11-27-17)19(21(24)25)20(22)13-3-6-15(26-2)7-4-13/h3-9,16,19-20H,10-11H2,1-2H3,(H,24,25)