[4-[4-(aziridin-2-yl)butoxy]phenyl] 2-methylbutanoate

Systemtic Name: [4-[4-(aziridin-2-yl)butoxy]phenyl] 2-methylbutanoate Openeye Name: [4-[4-(aziridin-2-yl)butoxy]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[4-(2-aziridinyl)butoxy]phenyl] ester IUPAC Name: [4-[4-(aziridin-2-yl)butoxy]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(4-ethylenimin-2-ylbutoxy)phenyl] ester Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)OCCCCC2CN2

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)OCCCCC2CN2

InChI

InChI=1S/C17H25NO3/c1-3-13(2)17(19)21-16-9-7-15(8-10-16)20-11-5-4-6-14-12-18-14/h7-10,13-14,18H,3-6,11-12H2,1-2H3