(2E)-5,6-dimethoxy-2-[4-[1-(phenylmethyl)piperidin-4-yl]butylidene]-3H-inden-1-one

Systemtic Name: (2E)-5,6-dimethoxy-2-[4-[1-(phenylmethyl)piperidin-4-yl]butylidene]-3H-inden-1-one Openeye Name: (2E)-2-[4-(1-benzyl-4-piperidyl)butylidene]-5,6-dimethoxy-indan-1-one CAS Name: (2E)-5,6-dimethoxy-2-[4-[1-(phenylmethyl)-4-piperidinyl]butylidene]-3H-inden-1-one IUPAC Name: (2E)-2-[4-(1-benzylpiperidin-4-yl)butylidene]-5,6-dimethoxy-3H-inden-1-one Traditional Name: (2E)-2-[4-(1-benzyl-4-piperidyl)butylidene]-5,6-dimethoxy-indan-1-one Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=CCCCC3CCN(CC3)CC4=CC=CC=C4)C2=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C/C(=C\CCCC3CCN(CC3)CC4=CC=CC=C4)/C2=O)OC

InChI

InChI=1S/C27H33NO3/c1-30-25-17-23-16-22(27(29)24(23)18-26(25)31-2)11-7-6-8-20-12-14-28(15-13-20)19-21-9-4-3-5-10-21/h3-5,9-11,17-18,20H,6-8,12-16,19H2,1-2H3/b22-11+