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

Systemtic Name: 2-chloranyl-5,6-diethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-chloro-5,6-diethoxy-indan-1-one CAS Name: 2-chloro-5,6-diethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-inden-1-one IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-2-chloro-5,6-diethoxy-3H-inden-1-one Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-chloro-5,6-diethoxy-indan-1-one Formula: C26H32ClNO3 MolecularWeight: 441.99018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)Cl)OCC

InChI

InChI=1S/C26H32ClNO3/c1-3-30-23-14-21-17-26(27,25(29)22(21)15-24(23)31-4-2)16-19-10-12-28(13-11-19)18-20-8-6-5-7-9-20/h5-9,14-15,19H,3-4,10-13,16-18H2,1-2H3