4-(2-methylsulfanylpyrimidin-5-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Systemtic Name: 4-(2-methylsulfanylpyrimidin-5-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Openeye Name: 4-(2-methylsulfanylpyrimidin-5-yl)-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 4-[2-(methylthio)-5-pyrimidinyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylate IUPAC Name: 4-(2-methylsulfanylpyrimidin-5-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-[2-(methylthio)pyrimidin-5-yl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C2CCN(CC2OCC3=CC4=CC=CC=C4C=C3)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C=N1)C2CCN(CC2OCC3=CC4=CC=CC=C4C=C3)C(=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-29-21-23-11-18(12-24-21)19-8-9-25(22(26)27)13-20(19)28-14-15-6-7-16-4-2-3-5-17(16)10-15/h2-7,10-12,19-20H,8-9,13-14H2,1H3,(H,26,27)/p-1