[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic 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=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

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