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

Systemtic Name: 2-[[6-(2-methoxyethanoylamino)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[6-[(2-methoxyacetyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[6-[(2-methoxy-1-oxoethyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[6-[(2-methoxyacetyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-6-[(2-methoxyacetyl)amino]-5-methyl-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-12-14(22-17(25)11-29-2)8-9-15-18(12)20(28)30-21(23-15)24-16(19(26)27)10-13-6-4-3-5-7-13/h3-9,16H,10-11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)