5,6-dimethoxy-2-[4-[(E)-4-piperidin-1-ylbut-1-enyl]phenyl]-2,3-dihydroinden-1-one

Systemtic Name: 5,6-dimethoxy-2-[4-[(E)-4-piperidin-1-ylbut-1-enyl]phenyl]-2,3-dihydroinden-1-one Openeye Name: 5,6-dimethoxy-2-[4-[(E)-4-(1-piperidyl)but-1-enyl]phenyl]indan-1-one CAS Name: 5,6-dimethoxy-2-[4-[(E)-4-(1-piperidinyl)but-1-enyl]phenyl]-2,3-dihydroinden-1-one IUPAC Name: 5,6-dimethoxy-2-[4-[(E)-4-piperidin-1-ylbut-1-enyl]phenyl]-2,3-dihydroinden-1-one Traditional Name: 5,6-dimethoxy-2-[4-[(E)-4-piperidinobut-1-enyl]phenyl]indan-1-one Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)C3=CC=C(C=C3)C=CCCN4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)C3=CC=C(C=C3)/C=C/CCN4CCCCC4)OC

InChI

InChI=1S/C26H31NO3/c1-29-24-17-21-16-22(26(28)23(21)18-25(24)30-2)20-11-9-19(10-12-20)8-4-7-15-27-13-5-3-6-14-27/h4,8-12,17-18,22H,3,5-7,13-16H2,1-2H3/b8-4+