[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[2-(2-methoxyphenoxy)ethylamino]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC=CC=C1OCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H21N3O5/c1-27-18-5-2-3-6-19(18)28-14-12-22-20(25)15-29-21(26)16-7-9-17(10-8-16)24-13-4-11-23-24/h2-11,13H,12,14-15H2,1H3,(H,22,25)