(E)-3-[3-cyclohexyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-phenyl-phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[3-cyclohexyl-5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-phenyl-phenyl]but-2-enoic acid Openeye Name: (E)-3-[3-cyclohexyl-5-(2-morpholino-2-oxo-ethyl)-4-phenyl-phenyl]but-2-enoic acid CAS Name: (E)-3-[3-cyclohexyl-5-[2-(4-morpholinyl)-2-oxoethyl]-4-phenylphenyl]-2-butenoic acid IUPAC Name: (E)-3-[3-cyclohexyl-5-(2-morpholin-4-yl-2-oxoethyl)-4-phenylphenyl]but-2-enoic acid Traditional Name: (E)-3-[3-cyclohexyl-5-(2-keto-2-morpholino-ethyl)-4-phenyl-phenyl]but-2-enoic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC(=C(C(=C1)CC(=O)N2CCOCC2)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C/C(=C\C(=O)O)/C1=CC(=C(C(=C1)CC(=O)N2CCOCC2)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C28H33NO4/c1-20(16-27(31)32)23-17-24(19-26(30)29-12-14-33-15-13-29)28(22-10-6-3-7-11-22)25(18-23)21-8-4-2-5-9-21/h3,6-7,10-11,16-18,21H,2,4-5,8-9,12-15,19H2,1H3,(H,31,32)/b20-16+