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

Systemtic Name: 4-(1-benzofuran-5-yl)-2-(4-ethylphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylmethanamide Openeye Name: 4-(benzofuran-5-yl)-2-(4-ethylphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylformamide CAS Name: 4-(5-benzofuranyl)-2-(4-ethylphenyl)-1-methyl-3-pyrrolidinecarboxylic acid; N,N-dibutylformamide IUPAC Name: 4-(1-benzofuran-5-yl)-2-(4-ethylphenyl)-1-methylpyrrolidine-3-carboxylic acid; N,N-dibutylformamide Traditional Name: 4-(benzofuran-5-yl)-2-(4-ethylphenyl)-1-methyl-pyrrolidine-3-carboxylic acid; N,N-dibutylformamide Formula: C31H42N2O4 MolecularWeight: 506.67618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C=O.CCC1=CC=C(C=C1)C2C(C(CN2C)C3=CC4=C(C=C3)OC=C4)C(=O)O

Isomeric SMILES

CCCCN(CCCC)C=O.CCC1=CC=C(C=C1)C2C(C(CN2C)C3=CC4=C(C=C3)OC=C4)C(=O)O

InChI

InChI=1S/C22H23NO3.C9H19NO/c1-3-14-4-6-15(7-5-14)21-20(22(24)25)18(13-23(21)2)16-8-9-19-17(12-16)10-11-26-19;1-3-5-7-10(9-11)8-6-4-2/h4-12,18,20-21H,3,13H2,1-2H3,(H,24,25);9H,3-8H2,1-2H3