6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(piperonylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C16H17NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h1-2,5-7,11-12H,3-4,8-9H2,(H,17,18)(H,19,20)