6-chloranyl-8-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-oxidanyl-4-propyl-chromen-2-one hydrochloride

Systemtic Name: 6-chloranyl-8-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-oxidanyl-4-propyl-chromen-2-one hydrochloride Openeye Name: 6-chloro-7-hydroxy-8-[[2-(2-methoxyphenyl)ethylamino]methyl]-4-propyl-chromen-2-one hydrochloride CAS Name: 6-chloro-7-hydroxy-8-[[2-(2-methoxyphenyl)ethylamino]methyl]-4-propyl-1-benzopyran-2-one hydrochloride IUPAC Name: 6-chloro-7-hydroxy-8-[[2-(2-methoxyphenyl)ethylamino]methyl]-4-propylchromen-2-one hydrochloride Traditional Name: 6-chloro-7-hydroxy-8-[[2-(2-methoxyphenyl)ethylamino]methyl]-4-propyl-coumarin hydrochloride Formula: C22H25Cl2NO4 MolecularWeight: 438.3442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCC3=CC=CC=C3OC.Cl

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCC3=CC=CC=C3OC.Cl

InChI

InChI=1S/C22H24ClNO4.ClH/c1-3-6-15-11-20(25)28-22-16(15)12-18(23)21(26)17(22)13-24-10-9-14-7-4-5-8-19(14)27-2;/h4-5,7-8,11-12,24,26H,3,6,9-10,13H2,1-2H3;1H