(5-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl) 2-azanyl-3-(4-methoxyphenyl)propanoate

Systemtic Name: (5-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl) 2-azanyl-3-(4-methoxyphenyl)propanoate Openeye Name: (5-methoxy-4-oxo-3,1-benzoxazin-2-yl) 2-amino-3-(4-methoxyphenyl)propanoate CAS Name: 2-amino-3-(4-methoxyphenyl)propanoic acid (5-methoxy-4-oxo-3,1-benzoxazin-2-yl) ester IUPAC Name: (5-methoxy-4-oxo-3,1-benzoxazin-2-yl) 2-amino-3-(4-methoxyphenyl)propanoate Traditional Name: 2-amino-3-(4-methoxyphenyl)propionic acid (4-keto-5-methoxy-3,1-benzoxazin-2-yl) ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC2=NC3=C(C(=CC=C3)OC)C(=O)O2)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OC2=NC3=C(C(=CC=C3)OC)C(=O)O2)N

InChI

InChI=1S/C19H18N2O6/c1-24-12-8-6-11(7-9-12)10-13(20)17(22)26-19-21-14-4-3-5-15(25-2)16(14)18(23)27-19/h3-9,13H,10,20H2,1-2H3