[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H23N3O5/c1-15(19-13-18(28-2)9-10-20(19)29-3)24-21(26)14-30-22(27)16-5-7-17(8-6-16)25-12-4-11-23-25/h4-13,15H,14H2,1-3H3,(H,24,26)