(1R,2S)-2-[(4-methoxy-3-propoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(4-methoxy-3-propoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(4-methoxy-3-propoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(4-methoxy-3-propoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(4-methoxy-3-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-methoxy-3-propoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C19H27NO5 MolecularWeight: 349.42138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)CNC(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O)OC

InChI

InChI=1S/C19H27NO5/c1-3-10-25-17-11-13(8-9-16(17)24-2)12-20-18(21)14-6-4-5-7-15(14)19(22)23/h8-9,11,14-15H,3-7,10,12H2,1-2H3,(H,20,21)(H,22,23)/t14-,15+/m0/s1