[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H25N3O5 MolecularWeight: 375.4189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C19H25N3O5/c1-5-9-20-19(26)21-15(23)11-27-18(25)16(12(2)3)22-17(24)14-8-6-7-13(4)10-14/h5-8,10,12,16H,1,9,11H2,2-4H3,(H,22,24)(H2,20,21,23,26)