3-[[4-[(E)-2-(4-cyclohexylphenyl)-4-oxidanylidene-4-phenyl-but-2-enoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-2-(4-cyclohexylphenyl)-4-oxidanylidene-4-phenyl-but-2-enoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-2-(4-cyclohexylphenyl)-4-oxo-4-phenyl-but-2-enoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(E)-2-(4-cyclohexylphenyl)-1,4-dioxo-4-phenylbut-2-enyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(E)-2-(4-cyclohexylphenyl)-4-oxo-4-phenylbut-2-enoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(E)-2-(4-cyclohexylphenyl)-4-keto-4-phenyl-but-2-enoyl]benzoyl]amino]propionic acid Formula: C32H31NO5 MolecularWeight: 509.59224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)/C(=C\C(=O)C3=CC=CC=C3)/C(=O)C4=CC=C(C=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C32H31NO5/c34-29(25-9-5-2-6-10-25)21-28(24-13-11-23(12-14-24)22-7-3-1-4-8-22)31(37)26-15-17-27(18-16-26)32(38)33-20-19-30(35)36/h2,5-6,9-18,21-22H,1,3-4,7-8,19-20H2,(H,33,38)(H,35,36)/b28-21+