[6-(aminomethyl)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl] 2-azanyl-3-(4-methoxyphenyl)propanoate

Systemtic Name: [6-(aminomethyl)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl] 2-azanyl-3-(4-methoxyphenyl)propanoate Openeye Name: [6-(aminomethyl)-5-methyl-4-oxo-3,1-benzoxazin-2-yl] 2-amino-3-(4-methoxyphenyl)propanoate CAS Name: 2-amino-3-(4-methoxyphenyl)propanoic acid [6-(aminomethyl)-5-methyl-4-oxo-3,1-benzoxazin-2-yl] ester IUPAC Name: [6-(aminomethyl)-5-methyl-4-oxo-3,1-benzoxazin-2-yl] 2-amino-3-(4-methoxyphenyl)propanoate Traditional Name: 2-amino-3-(4-methoxyphenyl)propionic acid [6-(aminomethyl)-4-keto-5-methyl-3,1-benzoxazin-2-yl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)OC(=O)C(CC3=CC=C(C=C3)OC)N)CN

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)OC(=O)C(CC3=CC=C(C=C3)OC)N)CN

InChI

InChI=1S/C20H21N3O5/c1-11-13(10-21)5-8-16-17(11)19(25)28-20(23-16)27-18(24)15(22)9-12-3-6-14(26-2)7-4-12/h3-8,15H,9-10,21-22H2,1-2H3