4-(1-benzofuran-6-yl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylmethanamide

Systemtic Name: 4-(1-benzofuran-6-yl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylmethanamide Openeye Name: 4-(benzofuran-6-yl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylformamide CAS Name: 4-(6-benzofuranyl)-2-(4-methoxyphenyl)-1-methyl-3-pyrrolidinecarboxylic acid; N,N-dibutylformamide IUPAC Name: 4-(1-benzofuran-6-yl)-2-(4-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid; N,N-dibutylformamide Traditional Name: 4-(benzofuran-6-yl)-2-(4-methoxyphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylformamide Formula: C30H40N2O5 MolecularWeight: 508.649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=O.CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)C=CO4

Isomeric SMILES

CCCCN(CCCC)C=O.CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)C=CO4

InChI

InChI=1S/C21H21NO4.C9H19NO/c1-22-12-17(15-4-3-13-9-10-26-18(13)11-15)19(21(23)24)20(22)14-5-7-16(25-2)8-6-14;1-3-5-7-10(9-11)8-6-4-2/h3-11,17,19-20H,12H2,1-2H3,(H,23,24);9H,3-8H2,1-2H3