methyl 3-[4-[2-(aziridin-1-yl)-1-oxidanyl-ethyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-(aziridin-1-yl)-1-oxidanyl-ethyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-(aziridin-1-yl)-1-hydroxy-ethyl]phenyl]propanoate CAS Name: 3-[4-[2-(1-aziridinyl)-1-hydroxyethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(aziridin-1-yl)-1-hydroxyethyl]phenyl]propanoate Traditional Name: 3-[4-(2-ethylenimino-1-hydroxy-ethyl)phenyl]propionic acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CN2CC2)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CN2CC2)O

InChI

InChI=1S/C14H19NO3/c1-18-14(17)7-4-11-2-5-12(6-3-11)13(16)10-15-8-9-15/h2-3,5-6,13,16H,4,7-10H2,1H3