(E)-N-[2-azanyl-4-(4-hydroxyphenyl)-4-oxidanyl-1-oxidanylidene-1-phenyl-hexan-3-yl]-3-phenyl-prop-2-enamide hydrochloride

Systemtic Name: (E)-N-[2-azanyl-4-(4-hydroxyphenyl)-4-oxidanyl-1-oxidanylidene-1-phenyl-hexan-3-yl]-3-phenyl-prop-2-enamide hydrochloride Openeye Name: (E)-N-[1-(1-amino-2-oxo-2-phenyl-ethyl)-2-hydroxy-2-(4-hydroxyphenyl)butyl]-3-phenyl-prop-2-enamide hydrochloride CAS Name: (E)-N-[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-1-oxo-1-phenylhexan-3-yl]-3-phenyl-2-propenamide hydrochloride IUPAC Name: (E)-N-[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-1-oxo-1-phenylhexan-3-yl]-3-phenylprop-2-enamide hydrochloride Traditional Name: (E)-N-[1-(1-amino-2-keto-2-phenyl-ethyl)-2-hydroxy-2-(4-hydroxyphenyl)butyl]-3-phenyl-acrylamide hydrochloride Formula: C27H29ClN2O4 MolecularWeight: 480.98316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)(C(C(C(=O)C2=CC=CC=C2)N)NC(=O)C=CC3=CC=CC=C3)O.Cl

Isomeric SMILES

CCC(C1=CC=C(C=C1)O)(C(C(C(=O)C2=CC=CC=C2)N)NC(=O)/C=C/C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C27H28N2O4.ClH/c1-2-27(33,21-14-16-22(30)17-15-21)26(24(28)25(32)20-11-7-4-8-12-20)29-23(31)18-13-19-9-5-3-6-10-19;/h3-18,24,26,30,33H,2,28H2,1H3,(H,29,31);1H/b18-13+;