1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]proline Formula: C19H17Cl2NO4 MolecularWeight: 394.24858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H17Cl2NO4/c20-13-5-3-11(8-14(13)21)18(22-7-1-2-15(22)19(23)24)12-4-6-16-17(9-12)26-10-25-16/h3-6,8-9,15,18H,1-2,7,10H2,(H,23,24)