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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

InChI

InChI=1S/C18H23N3O3/c1-3-4-5-11-19-17(22)13-24-18(23)15-6-8-16(9-7-15)21-14(2)10-12-20-21/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,22)