methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-oxidanylidene-5-(phenylmethyl)-3H-1,3-oxazol-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-oxidanylidene-5-(phenylmethyl)-3H-1,3-oxazol-4-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(5-benzyl-2-oxo-3H-oxazole-4-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[oxo-[2-oxo-5-(phenylmethyl)-3H-oxazol-4-yl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-benzyl-2-oxo-3H-1,3-oxazole-4-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(5-benzyl-2-keto-4-oxazoline-4-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=C(OC(=O)N2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=C(OC(=O)N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6/c1-28-20(26)16(11-14-7-9-15(24)10-8-14)22-19(25)18-17(29-21(27)23-18)12-13-5-3-2-4-6-13/h2-10,16,24H,11-12H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1