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

Systemtic Name: methyl (2S)-2-[[6-(2-methoxyethanoylamino)-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[6-[(2-methoxyacetyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[6-[(2-methoxy-1-oxoethyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[6-[(2-methoxyacetyl)amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-keto-6-[(2-methoxyacetyl)amino]-5-methyl-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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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)OC)NC(=O)COC

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)COC

InChI

InChI=1S/C22H23N3O6/c1-13-15(23-18(26)12-29-2)9-10-16-19(13)21(28)31-22(24-16)25-17(20(27)30-3)11-14-7-5-4-6-8-14/h4-10,17H,11-12H2,1-3H3,(H,23,26)(H,24,25)/t17-/m0/s1