[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [1-(4-ethoxy-3-methylol-benzyl)-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C)CO

InChI

InChI=1S/C25H33NO4/c1-4-29-24-11-10-19(13-22(24)17-27)15-26-12-6-8-21(16-26)25(28)20-7-5-9-23(14-20)30-18(2)3/h5,7,9-11,13-14,18,21,27H,4,6,8,12,15-17H2,1-3H3