4-[[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl-(4-methoxybenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl-(4-methoxybenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[p-anisoyl(piperonyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C24H26N2O7 MolecularWeight: 454.47244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)NC(=O)C4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)NC(=O)C4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H26N2O7/c1-31-19-9-7-17(8-10-19)23(28)26(13-15-2-11-20-21(12-15)33-14-32-20)25-22(27)16-3-5-18(6-4-16)24(29)30/h2,7-12,16,18H,3-6,13-14H2,1H3,(H,25,27)(H,29,30)