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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C(=C1)CC(=O)N2CCOCC2)C3=CC=CC=C3)C4CCCCC4)C(=O)O

Isomeric SMILES

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

InChI

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