6,7-diethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one

Systemtic Name: 6,7-diethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-6,7-diethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one CAS Name: 6,7-diethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-6,7-diethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-6,7-diethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C3C(CCC2)C(C(=O)C3=C1)CC4CCN(CC4)CC5=CC=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C2=C3C(CCC2)C(C(=O)C3=C1)CC4CCN(CC4)CC5=CC=CC=C5)OCC

InChI

InChI=1S/C29H37NO3/c1-3-32-26-18-25-27-22(11-8-12-23(27)29(26)33-4-2)24(28(25)31)17-20-13-15-30(16-14-20)19-21-9-6-5-7-10-21/h5-7,9-10,18,20,22,24H,3-4,8,11-17,19H2,1-2H3