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

Systemtic Name: methyl 2-[5-methyl-2-[[3-(3-methylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 2-[5-methyl-2-[[3-(3-methylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 2-[5-methyl-2-[[[3-(3-methyl-1-pyrazolyl)-1-oxopropyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-methyl-2-[[3-(3-methylpyrazol-1-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 2-[5-methyl-2-[[3-(3-methylpyrazol-1-yl)propanoylamino]methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)C)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)C)C4=CC=CC=C4C(=O)OC

InChI

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