[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C17H24N2O5 MolecularWeight: 336.38286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C17H24N2O5/c1-12-6-5-7-13(10-12)19-14(20)11-23-15(21)8-9-18-16(22)24-17(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,18,22)(H,19,20)