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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(m-tolyl)methyl]proline Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-13-4-2-5-14(10-13)19(21-9-3-6-16(21)20(22)23)15-7-8-17-18(11-15)25-12-24-17/h2,4-5,7-8,10-11,16,19H,3,6,9,12H2,1H3,(H,22,23)