[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-27-19-5-2-4-17(12-19)13-22-20(25)15-28-21(26)18-8-6-16(7-9-18)14-24-11-3-10-23-24/h2-12H,13-15H2,1H3,(H,22,25)