4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-5-methoxy-phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromanyl-5-methoxy-phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-5-methoxy-phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-bromo-5-methoxyanilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-bromo-5-methoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-bromo-5-methoxy-2-(piperonylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C24H25BrN2O7 MolecularWeight: 533.3685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)C2CCC(CC2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)C2CCC(CC2)C(=O)O)C(=O)NCC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C24H25BrN2O7/c1-32-20-10-18(27-22(28)14-3-5-15(6-4-14)24(30)31)16(9-17(20)25)23(29)26-11-13-2-7-19-21(8-13)34-12-33-19/h2,7-10,14-15H,3-6,11-12H2,1H3,(H,26,29)(H,27,28)(H,30,31)