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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-16-10-12-20(25-22(27)13-11-17-6-3-2-4-7-17)15-21(16)26-23(28)18-8-5-9-19(14-18)24(29)30/h5,8-10,12,14-15,17H,2-4,6-7,11,13H2,1H3,(H,25,27)(H,26,28)(H,29,30)