dimethyl 2-methylsulfonyl-2-(4-phenylmethoxy-5-pyridin-3-yloxy-pentyl)nonanedioate

Systemtic Name: dimethyl 2-methylsulfonyl-2-(4-phenylmethoxy-5-pyridin-3-yloxy-pentyl)nonanedioate Openeye Name: dimethyl 2-[4-benzyloxy-5-(3-pyridyloxy)pentyl]-2-methylsulfonyl-nonanedioate CAS Name: 2-methylsulfonyl-2-[4-phenylmethoxy-5-(3-pyridinyloxy)pentyl]nonanedioic acid dimethyl ester IUPAC Name: dimethyl 2-methylsulfonyl-2-(4-phenylmethoxy-5-pyridin-3-yloxypentyl)nonanedioate Traditional Name: 2-[4-benzoxy-5-(3-pyridyloxy)pentyl]-2-mesyl-azelaic acid dimethyl ester Formula: C29H41NO8S MolecularWeight: 563.70274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(CCCC(COC1=CN=CC=C1)OCC2=CC=CC=C2)(C(=O)OC)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCCC(CCCC(COC1=CN=CC=C1)OCC2=CC=CC=C2)(C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C29H41NO8S/c1-35-27(31)17-9-4-5-10-18-29(28(32)36-2,39(3,33)34)19-11-15-26(23-38-25-16-12-20-30-21-25)37-22-24-13-7-6-8-14-24/h6-8,12-14,16,20-21,26H,4-5,9-11,15,17-19,22-23H2,1-3H3