1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[oxo-[3-[[oxo-(2,4,6-trimethylanilino)methyl]amino]-2-naphthalenyl]methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[3-(mesitylcarbamoylamino)-2-naphthoyl]amino]cyclohexanecarboxylic acid Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCC4)C(=O)O)C

InChI

InChI=1S/C28H31N3O4/c1-17-13-18(2)24(19(3)14-17)30-27(35)29-23-16-21-10-6-5-9-20(21)15-22(23)25(32)31-28(26(33)34)11-7-4-8-12-28/h5-6,9-10,13-16H,4,7-8,11-12H2,1-3H3,(H,31,32)(H,33,34)(H2,29,30,35)