4-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-2-[2-(1-pyrazolyl)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-coumaran-5-yl-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1CCN2C=CC=N2)C(=O)O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1CC(C(C1CCN2C=CC=N2)C(=O)O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H23N3O3/c1-21-12-15(13-3-4-17-14(11-13)6-10-25-17)18(19(23)24)16(21)5-9-22-8-2-7-20-22/h2-4,7-8,11,15-16,18H,5-6,9-10,12H2,1H3,(H,23,24)