5-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]-2-(methylamino)pentanoic acid

Systemtic Name: 5-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]-2-(methylamino)pentanoic acid Openeye Name: 5-[1-(4-chlorophenyl)-3,3-diethyl-isobenzofuran-1-yl]-2-(methylamino)pentanoic acid CAS Name: 5-[1-(4-chlorophenyl)-3,3-diethyl-1-isobenzofuranyl]-2-(methylamino)pentanoic acid IUPAC Name: 5-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]-2-(methylamino)pentanoic acid Traditional Name: 5-[1-(4-chlorophenyl)-3,3-diethyl-phthalan-1-yl]-2-(methylamino)valeric acid Formula: C24H30ClNO3 MolecularWeight: 415.9529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(O1)(CCCC(C(=O)O)NC)C3=CC=C(C=C3)Cl)CC

Isomeric SMILES

CCC1(C2=CC=CC=C2C(O1)(CCCC(C(=O)O)NC)C3=CC=C(C=C3)Cl)CC

InChI

InChI=1S/C24H30ClNO3/c1-4-23(5-2)19-9-6-7-10-20(19)24(29-23,17-12-14-18(25)15-13-17)16-8-11-21(26-3)22(27)28/h6-7,9-10,12-15,21,26H,4-5,8,11,16H2,1-3H3,(H,27,28)