4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]-6,7-dimethyl-coumarin Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCC3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCC3C4=CC5=C(C=C4)OCCCO5)C

InChI

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