[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

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