2-[2-[3-(3-dodecoxypropylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[3-(3-dodecoxypropylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthyl]oxy]ethylsulfanyl]acetic acid CAS Name: 2-[2-[[3-[(3-dodecoxypropylamino)-oxomethyl]-4-hydroxy-8-[[2-methylpropoxy(oxo)methyl]amino]-1-naphthalenyl]oxy]ethylthio]acetic acid IUPAC Name: 2-[2-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-(2-methylpropoxycarbonylamino)naphthalen-1-yl]oxyethylsulfanyl]acetic acid Traditional Name: 2-[2-[4-hydroxy-8-(isobutoxycarbonylamino)-3-(3-lauryloxypropylcarbamoyl)-1-naphthoxy]ethylthio]acetic acid Formula: C35H54N2O8S MolecularWeight: 662.87686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OCC(C)C)OCCSCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OCC(C)C)OCCSCC(=O)O

InChI

InChI=1S/C35H54N2O8S/c1-4-5-6-7-8-9-10-11-12-13-19-43-20-15-18-36-34(41)28-23-30(44-21-22-46-25-31(38)39)32-27(33(28)40)16-14-17-29(32)37-35(42)45-24-26(2)3/h14,16-17,23,26,40H,4-13,15,18-22,24-25H2,1-3H3,(H,36,41)(H,37,42)(H,38,39)