methyl (2S)-2-(benzotriazol-1-ylmethylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(benzotriazol-1-ylmethylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-(benzotriazol-1-ylmethylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-(1-benzotriazolylmethylamino)-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzotriazol-1-ylmethylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-(benzotriazol-1-ylmethylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H18N4O3/c1-24-17(23)15(10-12-6-8-13(22)9-7-12)18-11-21-16-5-3-2-4-14(16)19-20-21/h2-9,15,18,22H,10-11H2,1H3/t15-/m0/s1