[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-15-19(25-26(24-15)17-10-6-3-7-11-17)20(28)30-14-18(27)23-21(29)22-13-12-16-8-4-2-5-9-16/h3,6-8,10-11H,2,4-5,9,12-14H2,1H3,(H2,22,23,27,29)