methyl 3-[7-chloranyl-2-[[(2-methylpyrazol-3-yl)carbonylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate

Systemtic Name: methyl 3-[7-chloranyl-2-[[(2-methylpyrazol-3-yl)carbonylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[7-chloro-2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[7-chloro-2-[[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[7-chloro-2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[7-chloro-2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]coumaran-5-yl]benzoic acid methyl ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CC(=CC=C4)C(=O)OC)Cl

Isomeric SMILES

CN1C(=CC=N1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CC(=CC=C4)C(=O)OC)Cl

InChI

InChI=1S/C22H20ClN3O4/c1-26-19(6-7-25-26)21(27)24-12-17-10-16-9-15(11-18(23)20(16)30-17)13-4-3-5-14(8-13)22(28)29-2/h3-9,11,17H,10,12H2,1-2H3,(H,24,27)