3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-(dimethylaminomethyl)-2-methyl-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-(dimethylaminomethyl)-2-methyl-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-(dimethylaminomethyl)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-(dimethylaminomethyl)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-(dimethylaminomethyl)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-(dimethylaminomethyl)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CN(C)C)O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CN(C)C)O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27NO5/c1-13-20(14-5-8-18-19(11-14)27-10-4-9-26-18)21(25)15-6-7-17(24)16(12-23(2)3)22(15)28-13/h5,8,11,16,22,25H,4,6-7,9-10,12H2,1-3H3