3-[[4-[(4-cyclohexylphenyl)methyl-(4-phenylphenoxy)carbonyl-amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)methyl-(4-phenylphenoxy)carbonyl-amino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)methyl-(4-phenylphenoxy)carbonyl-amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)methyl-[oxo-(4-phenylphenoxy)methyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)methyl-(4-phenylphenoxy)carbonylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylbenzyl)-(4-phenylphenoxy)carbonyl-amino]benzoyl]amino]propionic acid Formula: C36H36N2O5 MolecularWeight: 576.68144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H36N2O5/c39-34(40)23-24-37-35(41)31-15-19-32(20-16-31)38(25-26-11-13-29(14-12-26)27-7-3-1-4-8-27)36(42)43-33-21-17-30(18-22-33)28-9-5-2-6-10-28/h2,5-6,9-22,27H,1,3-4,7-8,23-25H2,(H,37,41)(H,39,40)