(2Z)-7-(azepan-1-ylmethyl)-6-oxidanyl-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ylmethyl)-6-oxidanyl-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-[(4-isopropylphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-(1-azepanylmethyl)-6-hydroxy-2-[(4-propan-2-ylphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(4-isopropylbenzylidene)coumaran-3-one Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCCC4

InChI

InChI=1S/C25H29NO3/c1-17(2)19-9-7-18(8-10-19)15-23-24(28)20-11-12-22(27)21(25(20)29-23)16-26-13-5-3-4-6-14-26/h7-12,15,17,27H,3-6,13-14,16H2,1-2H3/b23-15-