[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCCCNC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCCCNC(=O)N)C

InChI

InChI=1S/C17H25N3O4/c1-12-7-8-14(10-13(12)2)20-15(21)11-24-16(22)6-4-3-5-9-19-17(18)23/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,21)(H3,18,19,23)