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

Systemtic Name: 8-(diethylaminomethyl)-3-(4-methoxyphenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(diethylaminomethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-4-22(5-2)12-17-19(23)11-10-16-20(24)18(13-26-21(16)17)14-6-8-15(25-3)9-7-14/h6-9,13,17,21,24H,4-5,10-12H2,1-3H3