(phenylmethyl) 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]propanoate Openeye Name: benzyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]propanoate CAS Name: 2-[[[1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]propanoate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)ethylenimine-2-carbonyl]amino]propionic acid benzyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CN2CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CN2CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-15(22(26)29-14-16-7-5-4-6-8-16)23-21(25)20-13-24(20)12-17-9-18(27-2)11-19(10-17)28-3/h4-11,15,20H,12-14H2,1-3H3,(H,23,25)