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

Systemtic Name: N,N-dibutylmethanamide; 4-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid Openeye Name: N,N-dibutylformamide; 4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid CAS Name: N,N-dibutylformamide; 4-(2,3-dihydrobenzofuran-5-yl)-1-methyl-2-[2-(1-pyrazolyl)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: N,N-dibutylformamide; 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; N,N-dibutylformamide Formula: C28H42N4O4 MolecularWeight: 498.65748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3.C9H19NO/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;1-3-5-7-10(9-11)8-6-4-2/h2-4,7-8,11,15-16,18H,5-6,9-10,12H2,1H3,(H,23,24);9H,3-8H2,1-2H3