2-[2-[3-(cyclohexylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]tetradecanoic acid

Systemtic Name: 2-[2-[3-(cyclohexylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]tetradecanoic acid Openeye Name: 2-[2-[[3-(cyclohexylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]ethylsulfanyl]tetradecanoic acid CAS Name: 2-[2-[[3-[(cyclohexylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]ethylthio]tetradecanoic acid IUPAC Name: 2-[2-[3-(cyclohexylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethylsulfanyl]tetradecanoic acid Traditional Name: 2-[2-[3-(cyclohexylcarbamoyl)-4-hydroxy-1-naphthoxy]ethylthio]myristic acid Formula: C33H49NO5S MolecularWeight: 571.81086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)O)SCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)O)SCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C33H49NO5S/c1-2-3-4-5-6-7-8-9-10-14-21-30(33(37)38)40-23-22-39-29-24-28(31(35)27-20-16-15-19-26(27)29)32(36)34-25-17-12-11-13-18-25/h15-16,19-20,24-25,30,35H,2-14,17-18,21-23H2,1H3,(H,34,36)(H,37,38)