2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid

Systemtic Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid Openeye Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid CAS Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-pyrrolidinecarboxylic acid IUPAC Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid Traditional Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC1C(C(CN1)C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

Isomeric SMILES

CCCC(C)(C)CC1C(C(CN1)C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

InChI

InChI=1S/C20H29NO5/c1-5-6-20(2,3)9-14-17(19(22)23)13(10-21-14)12-7-15(24-4)18-16(8-12)25-11-26-18/h7-8,13-14,17,21H,5-6,9-11H2,1-4H3,(H,22,23)