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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3)OC

InChI

InChI=1S/C23H25N3O5/c1-29-20-9-6-17(14-21(20)30-2)10-12-24-22(27)16-31-23(28)19-7-4-18(5-8-19)15-26-13-3-11-25-26/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H,24,27)