4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpentyl)-1-methyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpentyl)-1-methyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-(2,3-dihydrobenzofuran-5-yl)-2-(2,2-dimethylpentyl)-1-methyl-pyrrolidine-3-carboxylic acid CAS Name: 4-(2,3-dihydrobenzofuran-5-yl)-2-(2,2-dimethylpentyl)-1-methyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpentyl)-1-methylpyrrolidine-3-carboxylic acid Traditional Name: 4-coumaran-5-yl-2-(2,2-dimethylpentyl)-1-methyl-pyrrolidine-3-carboxylic acid Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC1C(C(CN1C)C2=CC3=C(C=C2)OCC3)C(=O)O

Isomeric SMILES

CCCC(C)(C)CC1C(C(CN1C)C2=CC3=C(C=C2)OCC3)C(=O)O

InChI

InChI=1S/C21H31NO3/c1-5-9-21(2,3)12-17-19(20(23)24)16(13-22(17)4)14-6-7-18-15(11-14)8-10-25-18/h6-7,11,16-17,19H,5,8-10,12-13H2,1-4H3,(H,23,24)