2-[[2-(4-acetyloxyphenyl)aziridin-1-yl]methyl]-3,3-diphenyl-propanoic acid

Systemtic Name: 2-[[2-(4-acetyloxyphenyl)aziridin-1-yl]methyl]-3,3-diphenyl-propanoic acid Openeye Name: 2-[[2-(4-acetoxyphenyl)aziridin-1-yl]methyl]-3,3-diphenyl-propanoic acid CAS Name: 2-[[2-(4-acetyloxyphenyl)-1-aziridinyl]methyl]-3,3-diphenylpropanoic acid IUPAC Name: 2-[[2-(4-acetyloxyphenyl)aziridin-1-yl]methyl]-3,3-diphenylpropanoic acid Traditional Name: 2-[[2-(4-acetoxyphenyl)ethylenimin-1-yl]methyl]-3,3-diphenyl-propionic acid Formula: C26H25NO4 MolecularWeight: 415.481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2CN2CC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2CN2CC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25NO4/c1-18(28)31-22-14-12-19(13-15-22)24-17-27(24)16-23(26(29)30)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-25H,16-17H2,1H3,(H,29,30)