4-(1-benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(4-ethylphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1-benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(4-ethylphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(4-ethylphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(5-benzofuranyl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-ethylphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1-benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-ethylphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(benzofuran-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-(4-ethylphenyl)pyrrolidine-3-carboxylic acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)CC)C(=O)O)C3=CC4=C(C=C3)OC=C4

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)CC)C(=O)O)C3=CC4=C(C=C3)OC=C4

InChI

InChI=1S/C31H40N2O4/c1-4-7-16-32(17-8-5-2)28(34)21-33-20-26(24-13-14-27-25(19-24)15-18-37-27)29(31(35)36)30(33)23-11-9-22(6-3)10-12-23/h9-15,18-19,26,29-30H,4-8,16-17,20-21H2,1-3H3,(H,35,36)