4-[1-(4-methylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(4-methylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(4-methyl-1-piperidyl)methyl]-2-(2-phenethylphenoxy)ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1-(4-methyl-1-piperidinyl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[1-(4-methylpiperidin-1-yl)-3-(2-phenethylphenoxy)propan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-keto-4-[1-[(4-methylpiperidino)methyl]-2-(2-phenethylphenoxy)ethoxy]butyric acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCC(=O)O

Isomeric SMILES

CC1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OC(=O)CCC(=O)O

InChI

InChI=1S/C27H35NO5/c1-21-15-17-28(18-16-21)19-24(33-27(31)14-13-26(29)30)20-32-25-10-6-5-9-23(25)12-11-22-7-3-2-4-8-22/h2-10,21,24H,11-20H2,1H3,(H,29,30)