4-[[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]carbamoyl]benzoic acid CAS Name: 4-[[5-[(3-cyclohexyl-1-oxopropyl)amino]-2-methylanilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]carbamoyl]benzoic acid Traditional Name: 4-[[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]carbamoyl]benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)NC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)NC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H28N2O4/c1-16-7-13-20(25-22(27)14-8-17-5-3-2-4-6-17)15-21(16)26-23(28)18-9-11-19(12-10-18)24(29)30/h7,9-13,15,17H,2-6,8,14H2,1H3,(H,25,27)(H,26,28)(H,29,30)