3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one Openeye Name: 3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]propan-1-one CAS Name: 3-(1-azepanyl)-1-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one Traditional Name: 3-(azepan-1-yl)-1-[(2S)-2-methylcoumaran-5-yl]propan-1-one Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=O)CCN3CCCCCC3

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)C(=O)CCN3CCCCCC3

InChI

InChI=1S/C18H25NO2/c1-14-12-16-13-15(6-7-18(16)21-14)17(20)8-11-19-9-4-2-3-5-10-19/h6-7,13-14H,2-5,8-12H2,1H3/t14-/m0/s1