2-(phenylcarbamoylsulfanyl)-7-[6-(pyridin-4-ylmethoxy)naphthalen-2-yl]heptanoic acid

Systemtic Name: 2-(phenylcarbamoylsulfanyl)-7-[6-(pyridin-4-ylmethoxy)naphthalen-2-yl]heptanoic acid Openeye Name: 2-(phenylcarbamoylsulfanyl)-7-[6-(4-pyridylmethoxy)-2-naphthyl]heptanoic acid CAS Name: 2-[[anilino(oxo)methyl]thio]-7-[6-(pyridin-4-ylmethoxy)-2-naphthalenyl]heptanoic acid IUPAC Name: 2-(phenylcarbamoylsulfanyl)-7-[6-(pyridin-4-ylmethoxy)naphthalen-2-yl]heptanoic acid Traditional Name: 2-(phenylcarbamoylthio)-7-[6-(4-pyridylmethoxy)-2-naphthyl]enanthic acid Formula: C30H30N2O4S MolecularWeight: 514.6352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)SC(CCCCCC2=CC3=C(C=C2)C=C(C=C3)OCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)SC(CCCCCC2=CC3=C(C=C2)C=C(C=C3)OCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C30H30N2O4S/c33-29(34)28(37-30(35)32-26-8-4-2-5-9-26)10-6-1-3-7-22-11-12-25-20-27(14-13-24(25)19-22)36-21-23-15-17-31-18-16-23/h2,4-5,8-9,11-20,28H,1,3,6-7,10,21H2,(H,32,35)(H,33,34)