tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]propanoate

Systemtic Name: tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]propanoate Openeye Name: tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]propionic acid tert-butyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CC3=CC=C(C=C3)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N2O5/c1-13-6-5-7-16-18(13)20(27)28-21(23-16)24-17(19(26)29-22(2,3)4)12-14-8-10-15(25)11-9-14/h5-11,17,25H,12H2,1-4H3,(H,23,24)/t17-/m0/s1