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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)COC

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)COC

InChI

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