[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C21H26N4O4/c1-14-5-3-4-6-18(14)23-21(28)24-19(26)13-29-20(27)16-7-9-17(10-8-16)25-15(2)11-12-22-25/h7-12,14,18H,3-6,13H2,1-2H3,(H2,23,24,26,28)