[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H24N4O3/c1-14-4-2-3-5-17(14)22-18(24)11-26-19(25)16-8-6-15(7-9-16)10-23-13-20-12-21-23/h6-9,12-14,17H,2-5,10-11H2,1H3,(H,22,24)