(1R,2S)-2-[[4-(propylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[[4-(propylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[4-(propylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[oxo-[4-[oxo(propylamino)methyl]anilino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[4-(propylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[4-(propylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C18H24N2O4/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(23)24/h7-10,14-15H,2-6,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t14-,15+/m0/s1