(1R,2S)-2-[(5-chloranyl-2-pentoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(5-chloranyl-2-pentoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(5-chloro-2-pentoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(5-chloro-2-pentoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(5-chloro-2-pentoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(2-amoxy-5-chloro-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C20H28ClNO4 MolecularWeight: 381.89362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C20H28ClNO4/c1-2-3-6-11-26-18-10-9-15(21)12-14(18)13-22-19(23)16-7-4-5-8-17(16)20(24)25/h9-10,12,16-17H,2-8,11,13H2,1H3,(H,22,23)(H,24,25)/t16-,17+/m0/s1