3,4-bis(azanyl)-2-[2-[(1-methylcyclohexyl)amino]ethyl]benzoate

Systemtic Name: 3,4-bis(azanyl)-2-[2-[(1-methylcyclohexyl)amino]ethyl]benzoate Openeye Name: 3,4-diamino-2-[2-[(1-methylcyclohexyl)amino]ethyl]benzoate CAS Name: 3,4-diamino-2-[2-[(1-methylcyclohexyl)amino]ethyl]benzoate IUPAC Name: 3,4-diamino-2-[2-[(1-methylcyclohexyl)amino]ethyl]benzoate Traditional Name: 3,4-diamino-2-[2-[(1-methylcyclohexyl)amino]ethyl]benzoate Formula: C16H24N3O2- MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)NCCC2=C(C=CC(=C2N)N)C(=O)[O-]

Isomeric SMILES

CC1(CCCCC1)NCCC2=C(C=CC(=C2N)N)C(=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-16(8-3-2-4-9-16)19-10-7-11-12(15(20)21)5-6-13(17)14(11)18/h5-6,19H,2-4,7-10,17-18H2,1H3,(H,20,21)/p-1