1-[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione Openeye Name: 1-[(3R)-3-(hydroxymethyl)-3-phenethyl-1-piperidyl]-4-(4-methoxyphenyl)butane-1,4-dione CAS Name: 1-[(3R)-3-(hydroxymethyl)-3-phenethyl-1-piperidinyl]-4-(4-methoxyphenyl)butane-1,4-dione IUPAC Name: 1-[(3R)-3-(hydroxymethyl)-3-phenethylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-methoxyphenyl)-4-[(3R)-3-methylol-3-phenethyl-piperidino]butane-1,4-dione Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C25H31NO4/c1-30-22-10-8-21(9-11-22)23(28)12-13-24(29)26-17-5-15-25(18-26,19-27)16-14-20-6-3-2-4-7-20/h2-4,6-11,27H,5,12-19H2,1H3/t25-/m0/s1