4-[(1S)-1-[(5-chloranyl-2-cyclohexyloxy-phenyl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[(1S)-1-[(5-chloranyl-2-cyclohexyloxy-phenyl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[(1S)-1-[[5-chloro-2-(cyclohexoxy)benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[(1S)-1-[[(5-chloro-2-cyclohexyloxyphenyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[(1S)-1-[(5-chloro-2-cyclohexyloxybenzoyl)amino]ethyl]benzoic acid Traditional Name: 4-[(1S)-1-[[5-chloro-2-(cyclohexoxy)benzoyl]amino]ethyl]benzoic acid Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)OC3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)OC3CCCCC3

InChI

InChI=1S/C22H24ClNO4/c1-14(15-7-9-16(10-8-15)22(26)27)24-21(25)19-13-17(23)11-12-20(19)28-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,24,25)(H,26,27)/t14-/m0/s1