3-[[4-[[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(3-chloro-4-cyano-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[(3-chloro-4-cyanoanilino)-oxomethyl]amino]-(4-cyclohexylphenyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(3-chloro-4-cyanophenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(3-chloro-4-cyano-phenyl)carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propionic acid Formula: C31H31ClN4O4 MolecularWeight: 559.05524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C31H31ClN4O4/c32-27-18-26(15-14-25(27)19-33)35-31(40)36-29(22-8-6-21(7-9-22)20-4-2-1-3-5-20)23-10-12-24(13-11-23)30(39)34-17-16-28(37)38/h6-15,18,20,29H,1-5,16-17H2,(H,34,39)(H,37,38)(H2,35,36,40)