3-(naphthalen-2-ylmethoxy)-4-[2-(3-phenylmethoxypropylsulfanyl)pyrimidin-5-yl]piperidine-1-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[2-(3-phenylmethoxypropylsulfanyl)pyrimidin-5-yl]piperidine-1-carboxylic acid Openeye Name: 4-[2-(3-benzyloxypropylsulfanyl)pyrimidin-5-yl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 3-(2-naphthalenylmethoxy)-4-[2-(3-phenylmethoxypropylthio)-5-pyrimidinyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[2-(3-phenylmethoxypropylsulfanyl)pyrimidin-5-yl]piperidine-1-carboxylic acid Traditional Name: 4-[2-(3-benzoxypropylthio)pyrimidin-5-yl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C31H33N3O4S MolecularWeight: 543.67642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CN=C(N=C2)SCCCOCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CN=C(N=C2)SCCCOCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H33N3O4S/c35-31(36)34-14-13-28(29(20-34)38-22-24-11-12-25-9-4-5-10-26(25)17-24)27-18-32-30(33-19-27)39-16-6-15-37-21-23-7-2-1-3-8-23/h1-5,7-12,17-19,28-29H,6,13-16,20-22H2,(H,35,36)