3-(naphthalen-2-ylmethoxy)-4-[4-[pyrimidin-2-yl(sulfanyl)methyl]phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[pyrimidin-2-yl(sulfanyl)methyl]phenyl]piperidine-1-carboxylic acid Openeye Name: 3-(2-naphthylmethoxy)-4-[4-[pyrimidin-2-yl(sulfanyl)methyl]phenyl]piperidine-1-carboxylic acid CAS Name: 4-[4-[mercapto(2-pyrimidinyl)methyl]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[pyrimidin-2-yl(sulfanyl)methyl]phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-[mercapto(2-pyrimidyl)methyl]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)C(C3=NC=CC=N3)S)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)C(C3=NC=CC=N3)S)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C28H27N3O3S/c32-28(33)31-15-12-24(21-8-10-22(11-9-21)26(35)27-29-13-3-14-30-27)25(17-31)34-18-19-6-7-20-4-1-2-5-23(20)16-19/h1-11,13-14,16,24-26,35H,12,15,17-18H2,(H,32,33)