(1R,2S)-2-[[4-(4-propylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[[4-(4-propylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[4-(4-propylphenoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[oxo-[[4-(4-propylphenoxy)phenyl]methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[4-(4-propylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[4-(4-propylphenoxy)benzyl]carbamoyl]cyclohexanecarboxylic acid Formula: C24H29NO4 MolecularWeight: 395.49136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C24H29NO4/c1-2-5-17-8-12-19(13-9-17)29-20-14-10-18(11-15-20)16-25-23(26)21-6-3-4-7-22(21)24(27)28/h8-15,21-22H,2-7,16H2,1H3,(H,25,26)(H,27,28)/t21-,22+/m0/s1