3-[3-(octylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(octylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[4-hydroxy-3-(octylcarbamoyl)-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[4-hydroxy-3-[(octylamino)-oxomethyl]-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[4-hydroxy-3-(octylcarbamoyl)naphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-hydroxy-3-(octylcarbamoyl)-1-naphthyl]thio]propionic acid Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)SCCC(=O)O)O

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)SCCC(=O)O)O

InChI

InChI=1S/C22H29NO4S/c1-2-3-4-5-6-9-13-23-22(27)18-15-19(28-14-12-20(24)25)16-10-7-8-11-17(16)21(18)26/h7-8,10-11,15,26H,2-6,9,12-14H2,1H3,(H,23,27)(H,24,25)