methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate Openeye Name: methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate CAS Name: 3-[4-[bis(1-aziridinyl)phosphorylamino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[bis(aziridin-1-yl)phosphorylamino]phenyl]propanoate Traditional Name: 3-[4-(diethyleniminophosphorylamino)phenyl]propionic acid methyl ester Formula: C14H20N3O3P MolecularWeight: 309.300661

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NP(=O)(N2CC2)N3CC3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NP(=O)(N2CC2)N3CC3

InChI

InChI=1S/C14H20N3O3P/c1-20-14(18)7-4-12-2-5-13(6-3-12)15-21(19,16-8-9-16)17-10-11-17/h2-3,5-6H,4,7-11H2,1H3,(H,15,19)