8-(diethylaminomethyl)-3-(4-methoxyphenoxy)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(diethylaminomethyl)-3-(4-methoxyphenoxy)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenoxy)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenoxy)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenoxy)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenoxy)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H27NO5 MolecularWeight: 373.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)OC)O)CCC1=O

Isomeric SMILES

CCN(CC)CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)OC)O)CCC1=O

InChI

InChI=1S/C21H27NO5/c1-4-22(5-2)12-17-18(23)11-10-16-20(24)19(13-26-21(16)17)27-15-8-6-14(25-3)7-9-15/h6-9,13,17,21,24H,4-5,10-12H2,1-3H3