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

Systemtic Name: 2-(hydroxymethyl)-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-(hydroxymethyl)-5,6-dimethoxy-indan-1-one CAS Name: 2-(hydroxymethyl)-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-inden-1-one IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-2-(hydroxymethyl)-5,6-dimethoxy-3H-inden-1-one Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2-methylol-indan-1-one Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)CO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)CO)OC

InChI

InChI=1S/C25H31NO4/c1-29-22-12-20-15-25(17-27,24(28)21(20)13-23(22)30-2)14-18-8-10-26(11-9-18)16-19-6-4-3-5-7-19/h3-7,12-13,18,27H,8-11,14-17H2,1-2H3