propan-2-yl 3-[4-(4-fluoranylphenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[4-(4-fluoranylphenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[4-(4-fluorophenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[4-(4-fluorophenoxy)-1-oxobutyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(4-fluorophenoxy)butanoylamino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[4-(4-fluorophenoxy)butanoylamino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H25FN2O6 MolecularWeight: 432.442103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCCOC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C22H25FN2O6/c1-15(2)31-22(27)14-19(18-6-3-4-7-20(18)25(28)29)24-21(26)8-5-13-30-17-11-9-16(23)10-12-17/h3-4,6-7,9-12,15,19H,5,8,13-14H2,1-2H3,(H,24,26)