3-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]propyl 2-(methylamino)propanoate

Systemtic Name: 3-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]propyl 2-(methylamino)propanoate Openeye Name: 3-[1-(4-chlorophenyl)-3,3-diethyl-isobenzofuran-1-yl]propyl 2-(methylamino)propanoate CAS Name: 2-(methylamino)propanoic acid 3-[1-(4-chlorophenyl)-3,3-diethyl-1-isobenzofuranyl]propyl ester IUPAC Name: 3-[1-(4-chlorophenyl)-3,3-diethyl-2-benzofuran-1-yl]propyl 2-(methylamino)propanoate Traditional Name: 2-(methylamino)propionic acid 3-[1-(4-chlorophenyl)-3,3-diethyl-phthalan-1-yl]propyl ester Formula: C25H32ClNO3 MolecularWeight: 429.97948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClNO3/c1-5-24(6-2)21-10-7-8-11-22(21)25(30-24,19-12-14-20(26)15-13-19)16-9-17-29-23(28)18(3)27-4/h7-8,10-15,18,27H,5-6,9,16-17H2,1-4H3