[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C22H23N3O6/c1-14-6-2-3-7-15(14)22(29)24-11-10-20(27)30-13-19(26)25-12-18(21(23)28)31-17-9-5-4-8-16(17)25/h2-9,18H,10-13H2,1H3,(H2,23,28)(H,24,29)