(1E,2R)-2-methyl-1-[(3S)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol

Systemtic Name: (1E,2R)-2-methyl-1-[(3S)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol Openeye Name: (1E,2R)-2-methyl-1-[(3S)-3-(1-piperidyl)-3H-benzofuran-2-ylidene]butan-2-ol CAS Name: (1E,2R)-2-methyl-1-[(3S)-3-(1-piperidinyl)-3H-benzofuran-2-ylidene]-2-butanol IUPAC Name: (1E,2R)-2-methyl-1-[(3S)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol Traditional Name: (1E,2R)-2-methyl-1-[(3S)-3-piperidinocoumaran-2-ylidene]butan-2-ol Formula: C18H25NO2 MolecularWeight: 287.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C=C1C(C2=CC=CC=C2O1)N3CCCCC3)O

Isomeric SMILES

CC[C@](C)(/C=C/1\[C@H](C2=CC=CC=C2O1)N3CCCCC3)O

InChI

InChI=1S/C18H25NO2/c1-3-18(2,20)13-16-17(19-11-7-4-8-12-19)14-9-5-6-10-15(14)21-16/h5-6,9-10,13,17,20H,3-4,7-8,11-12H2,1-2H3/b16-13+/t17-,18+/m0/s1