methyl 3-[1-[4-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(2,3-dihydrobenzofuran-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(2,3-dihydrobenzofuran-5-ylmethylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(coumaran-5-ylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCC4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCC4)C)CCC(=O)OC

InChI

InChI=1S/C25H27N3O4/c1-16-22(9-11-24(29)31-3)17(2)28(27-16)21-7-5-19(6-8-21)25(30)26-15-18-4-10-23-20(14-18)12-13-32-23/h4-8,10,14H,9,11-13,15H2,1-3H3,(H,26,30)