methyl 3-(4-hydroxyphenyl)-2-[[1-(phenylmethyl)aziridin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-[[1-(phenylmethyl)aziridin-2-yl]carbonylamino]propanoate Openeye Name: methyl 2-[(1-benzylaziridine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[oxo-[1-(phenylmethyl)-2-aziridinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(1-benzylaziridine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(1-benzylethylenimine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CN2CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4/c1-26-20(25)17(11-14-7-9-16(23)10-8-14)21-19(24)18-13-22(18)12-15-5-3-2-4-6-15/h2-10,17-18,23H,11-13H2,1H3,(H,21,24)