[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C22H23N3O4/c1-17-4-2-5-20(14-17)28-13-11-23-21(26)16-29-22(27)19-8-6-18(7-9-19)15-25-12-3-10-24-25/h2-10,12,14H,11,13,15-16H2,1H3,(H,23,26)