2-[3-[5-(diethylamino)-2-methyl-2-oxidanyl-pentyl]-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[3-[5-(diethylamino)-2-methyl-2-oxidanyl-pentyl]-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[3-[5-(diethylamino)-2-hydroxy-2-methyl-pentyl]-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[3-[5-(diethylamino)-2-hydroxy-2-methylpentyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[3-[5-(diethylamino)-2-hydroxy-2-methylpentyl]-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[3-[5-(diethylamino)-2-hydroxy-2-methyl-pentyl]coumaran-5-yl]acetic acid Formula: C20H31NO4 MolecularWeight: 349.46444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)(CC1COC2=C1C=C(C=C2)CC(=O)O)O

Isomeric SMILES

CCN(CC)CCCC(C)(CC1COC2=C1C=C(C=C2)CC(=O)O)O

InChI

InChI=1S/C20H31NO4/c1-4-21(5-2)10-6-9-20(3,24)13-16-14-25-18-8-7-15(11-17(16)18)12-19(22)23/h7-8,11,16,24H,4-6,9-10,12-14H2,1-3H3,(H,22,23)