8-(diethylaminomethyl)-3-(2-methoxyphenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(diethylaminomethyl)-3-(2-methoxyphenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(diethylaminomethyl)-4-hydroxy-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(diethylaminomethyl)-4-hydroxy-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(diethylaminomethyl)-4-hydroxy-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(diethylaminomethyl)-4-hydroxy-3-(2-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=CC=C3OC)O)CCC1=O

Isomeric SMILES

CCN(CC)CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O

InChI

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