6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 3,4-dimethyl-6-(piperonylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O)C

InChI

InChI=1S/C18H21NO5/c1-10-5-13(14(18(21)22)6-11(10)2)17(20)19-8-12-3-4-15-16(7-12)24-9-23-15/h3-4,7,13-14H,5-6,8-9H2,1-2H3,(H,19,20)(H,21,22)