5-[2-[4-[16-(4-methoxyphenoxy)hexadecoxy]phenyl]ethanoylamino]-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-[2-[4-[16-(4-methoxyphenoxy)hexadecoxy]phenyl]ethanoylamino]-2-methylsulfanyl-benzoic acid Openeye Name: 5-[[2-[4-[16-(4-methoxyphenoxy)hexadecoxy]phenyl]acetyl]amino]-2-methylsulfanyl-benzoic acid CAS Name: 5-[[2-[4-[16-(4-methoxyphenoxy)hexadecoxy]phenyl]-1-oxoethyl]amino]-2-(methylthio)benzoic acid IUPAC Name: 5-[[2-[4-[16-(4-methoxyphenoxy)hexadecoxy]phenyl]acetyl]amino]-2-methylsulfanylbenzoic acid Traditional Name: 5-[[2-[4-[16-(4-methoxyphenoxy)hexadecoxy]phenyl]acetyl]amino]-2-(methylthio)benzoic acid Formula: C39H53NO6S MolecularWeight: 663.90622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCCCCCCCCCCCCCCOC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)SC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCCCCCCCCCCCCCCCCOC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)SC)C(=O)O

InChI

InChI=1S/C39H53NO6S/c1-44-33-22-24-35(25-23-33)46-28-16-14-12-10-8-6-4-3-5-7-9-11-13-15-27-45-34-20-17-31(18-21-34)29-38(41)40-32-19-26-37(47-2)36(30-32)39(42)43/h17-26,30H,3-16,27-29H2,1-2H3,(H,40,41)(H,42,43)