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

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-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]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-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)carbamoylamino]ethyl] ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-14-4-2-3-5-17(14)23-20(28)24-18(26)11-29-19(27)16-8-6-15(7-9-16)10-25-13-21-12-22-25/h6-9,12-14,17H,2-5,10-11H2,1H3,(H2,23,24,26,28)