3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,2,2,3-tetramethyl-cyclopentanecarboxylic acid CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1,2,2,3-tetramethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid Traditional Name: 1,2,2,3-tetramethyl-3-(piperonylcarbamoyl)cyclopentanecarboxylic acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H25NO5/c1-17(2)18(3,7-8-19(17,4)16(22)23)15(21)20-10-12-5-6-13-14(9-12)25-11-24-13/h5-6,9H,7-8,10-11H2,1-4H3,(H,20,21)(H,22,23)