(2S)-2-[[4-chloranyl-3-(4-methoxyphenyl)phenyl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: (2S)-2-[[4-chloranyl-3-(4-methoxyphenyl)phenyl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: (2S)-2-[[4-chloro-3-(4-methoxyphenyl)benzoyl]amino]-3-cyclohexyl-propanoic acid CAS Name: (2S)-2-[[[4-chloro-3-(4-methoxyphenyl)phenyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: (2S)-2-[[4-chloro-3-(4-methoxyphenyl)benzoyl]amino]-3-cyclohexylpropanoic acid Traditional Name: (2S)-2-[[4-chloro-3-(4-methoxyphenyl)benzoyl]amino]-3-cyclohexyl-propionic acid Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)NC(CC3CCCCC3)C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)N[C@@H](CC3CCCCC3)C(=O)O)Cl

InChI

InChI=1S/C23H26ClNO4/c1-29-18-10-7-16(8-11-18)19-14-17(9-12-20(19)24)22(26)25-21(23(27)28)13-15-5-3-2-4-6-15/h7-12,14-15,21H,2-6,13H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1