(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[[(3S)-3-methylpiperidin-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-7-[[(3S)-3-methyl-1-piperidyl]methyl]benzofuran-3-one CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-7-[[(3S)-3-methyl-1-piperidinyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-7-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-7-[[(3S)-3-methylpiperidino]methyl]coumaran-3-one Formula: C24H22BrNO4 MolecularWeight: 468.33978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)O

InChI

InChI=1S/C24H22BrNO4/c1-14-3-2-8-26(12-14)13-19-20(27)6-5-18-23(28)22(30-24(18)19)11-17-10-15-9-16(25)4-7-21(15)29-17/h4-7,9-11,14,27H,2-3,8,12-13H2,1H3/b22-11-/t14-/m0/s1