2-[[6-(aminomethyl)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-(4-methoxyphenyl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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