2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H22N2O6/c25-20(14-5-1-2-6-15(14)22(27)28)24-17-8-4-3-7-16(17)21(26)23-13-9-10-18-19(11-13)30-12-29-18/h3-4,7-11,14-15H,1-2,5-6,12H2,(H,23,26)(H,24,25)(H,27,28)