(E)-N-(2-azanyl-1-cyclohexyl-2-oxidanylidene-1-pyridin-4-yl-ethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-N-(phenylmethyl)but-2-enamide

Systemtic Name: (E)-N-(2-azanyl-1-cyclohexyl-2-oxidanylidene-1-pyridin-4-yl-ethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-N-(phenylmethyl)but-2-enamide Openeye Name: (E)-N-[2-amino-1-cyclohexyl-2-oxo-1-(4-pyridyl)ethyl]-N-benzyl-4-(2-hydroxy-4-methoxy-phenyl)-4-oxo-but-2-enamide CAS Name: (E)-N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-4-(2-hydroxy-4-methoxyphenyl)-4-oxo-N-(phenylmethyl)-2-butenamide IUPAC Name: (E)-N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enamide Traditional Name: (E)-N-[2-amino-1-cyclohexyl-2-keto-1-(4-pyridyl)ethyl]-N-benzyl-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-but-2-enamide Formula: C31H33N3O5 MolecularWeight: 527.61082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC(=O)N(CC2=CC=CC=C2)C(C3CCCCC3)(C4=CC=NC=C4)C(=O)N)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C(=O)N(CC2=CC=CC=C2)C(C3CCCCC3)(C4=CC=NC=C4)C(=O)N)O

InChI

InChI=1S/C31H33N3O5/c1-39-25-12-13-26(28(36)20-25)27(35)14-15-29(37)34(21-22-8-4-2-5-9-22)31(30(32)38,23-10-6-3-7-11-23)24-16-18-33-19-17-24/h2,4-5,8-9,12-20,23,36H,3,6-7,10-11,21H2,1H3,(H2,32,38)/b15-14+