4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]-7,8-dimethyl-coumarin Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCCC3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCCC3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C25H27NO4/c1-16-6-8-20-19(14-24(27)30-25(20)17(16)2)15-26-10-3-5-21(26)18-7-9-22-23(13-18)29-12-4-11-28-22/h6-9,13-14,21H,3-5,10-12,15H2,1-2H3