3-[2-[3-(3-dodecoxypropylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylethoxy]propanoic acid

Systemtic Name: 3-[2-[3-(3-dodecoxypropylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylethoxy]propanoic acid Openeye Name: 3-[2-[[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-1-naphthyl]sulfanyl]ethoxy]propanoic acid CAS Name: 3-[2-[[3-[(3-dodecoxypropylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]ethoxy]propanoic acid IUPAC Name: 3-[2-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxynaphthalen-1-yl]sulfanylethoxy]propanoic acid Traditional Name: 3-[2-[[4-hydroxy-3-(3-lauryloxypropylcarbamoyl)-1-naphthyl]thio]ethoxy]propionic acid Formula: C31H47NO6S MolecularWeight: 561.77298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)SCCOCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)SCCOCCC(=O)O)O

InChI

InChI=1S/C31H47NO6S/c1-2-3-4-5-6-7-8-9-10-13-19-37-20-14-18-32-31(36)27-24-28(39-23-22-38-21-17-29(33)34)25-15-11-12-16-26(25)30(27)35/h11-12,15-16,24,35H,2-10,13-14,17-23H2,1H3,(H,32,36)(H,33,34)