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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethylphenyl)methyl]proline Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O)C

InChI

InChI=1S/C21H23NO4/c1-13-8-14(2)10-16(9-13)20(22-7-3-4-17(22)21(23)24)15-5-6-18-19(11-15)26-12-25-18/h5-6,8-11,17,20H,3-4,7,12H2,1-2H3,(H,23,24)