[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)CCNC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H30N2O4/c1-3-23(17-10-5-4-6-11-17)19(24)15-27-20(25)13-14-22-21(26)18-12-8-7-9-16(18)2/h7-9,12,17H,3-6,10-11,13-15H2,1-2H3,(H,22,26)