8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-(1-azepanylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methyl-coumarin Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCCCC3)O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCCCC3)O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27NO5/c1-16-18-7-8-20(27)19(15-26-10-4-2-3-5-11-26)24(18)31-25(28)23(16)17-6-9-21-22(14-17)30-13-12-29-21/h6-9,14,27H,2-5,10-13,15H2,1H3