3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(2-methylsulfanylpyrimidin-5-yl)piperidine-1-carboxylic acid

Systemtic Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(2-methylsulfanylpyrimidin-5-yl)piperidine-1-carboxylic acid Openeye Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-(2-methylsulfanylpyrimidin-5-yl)piperidine-1-carboxylic acid CAS Name: 3-[(1,4-dimethoxy-2-naphthalenyl)methoxy]-4-[2-(methylthio)-5-pyrimidinyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(2-methylsulfanylpyrimidin-5-yl)piperidine-1-carboxylic acid Traditional Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-[2-(methylthio)pyrimidin-5-yl]piperidine-1-carboxylic acid Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S/c1-30-20-10-15(22(31-2)19-7-5-4-6-18(19)20)14-32-21-13-27(24(28)29)9-8-17(21)16-11-25-23(33-3)26-12-16/h4-7,10-12,17,21H,8-9,13-14H2,1-3H3,(H,28,29)