(1-phenylpyrazol-4-yl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclopentyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)C4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)C4CCCC4)OC

InChI

InChI=1S/C25H27N3O5/c1-31-22-12-20(21(13-23(22)32-2)27-24(29)18-8-6-7-9-18)25(30)33-16-17-14-26-28(15-17)19-10-4-3-5-11-19/h3-5,10-15,18H,6-9,16H2,1-2H3,(H,27,29)