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

Systemtic Name: 2-[3-[3-(3-dodecoxypropylcarbamoyl)-4-oxidanyl-8-(pentanoylamino)naphthalen-1-yl]oxypropylsulfanyl]ethanoic acid Openeye Name: 2-[3-[[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-(pentanoylamino)-1-naphthyl]oxy]propylsulfanyl]acetic acid CAS Name: 2-[3-[[3-[(3-dodecoxypropylamino)-oxomethyl]-4-hydroxy-8-(1-oxopentylamino)-1-naphthalenyl]oxy]propylthio]acetic acid IUPAC Name: 2-[3-[3-(3-dodecoxypropylcarbamoyl)-4-hydroxy-8-(pentanoylamino)naphthalen-1-yl]oxypropylsulfanyl]acetic acid Traditional Name: 2-[3-[4-hydroxy-3-(3-lauryloxypropylcarbamoyl)-8-(valerylamino)-1-naphthoxy]propylthio]acetic acid Formula: C36H56N2O7S MolecularWeight: 660.90404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)CCCC)OCCCSCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)CCCC)OCCCSCC(=O)O

InChI

InChI=1S/C36H56N2O7S/c1-3-5-7-8-9-10-11-12-13-14-22-44-23-16-21-37-36(43)29-26-31(45-24-17-25-46-27-33(40)41)34-28(35(29)42)18-15-19-30(34)38-32(39)20-6-4-2/h15,18-19,26,42H,3-14,16-17,20-25,27H2,1-2H3,(H,37,43)(H,38,39)(H,40,41)