3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(6-methylsulfanylpyridin-3-yl)piperidine-1-carboxylic acid

Systemtic Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(6-methylsulfanylpyridin-3-yl)piperidine-1-carboxylic acid Openeye Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-(6-methylsulfanyl-3-pyridyl)piperidine-1-carboxylic acid CAS Name: 3-[(1,4-dimethoxy-2-naphthalenyl)methoxy]-4-[6-(methylthio)-3-pyridinyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(6-methylsulfanylpyridin-3-yl)piperidine-1-carboxylic acid Traditional Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-[6-(methylthio)-3-pyridyl]piperidine-1-carboxylic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=CC=CC=C21)OC)COC3CN(CCC3C4=CN=C(C=C4)SC)C(=O)O

Isomeric SMILES

COC1=CC(=C(C2=CC=CC=C21)OC)COC3CN(CCC3C4=CN=C(C=C4)SC)C(=O)O

InChI

InChI=1S/C25H28N2O5S/c1-30-21-12-17(24(31-2)20-7-5-4-6-19(20)21)15-32-22-14-27(25(28)29)11-10-18(22)16-8-9-23(33-3)26-13-16/h4-9,12-13,18,22H,10-11,14-15H2,1-3H3,(H,28,29)