[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-methoxybenzoate

Systemtic Name: [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-cyclopropyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H21N3O4/c1-28-18-9-5-6-16(12-18)22(27)29-14-21(26)23-20-13-19(15-10-11-15)24-25(20)17-7-3-2-4-8-17/h2-9,12-13,15H,10-11,14H2,1H3,(H,23,26)