2-[2-[3-(butylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanylmethyl]tetradecanoic acid

Systemtic Name: 2-[2-[3-(butylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanylmethyl]tetradecanoic acid Openeye Name: 2-[2-[[3-(butylcarbamoyl)-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthyl]oxy]ethylsulfanylmethyl]tetradecanoic acid CAS Name: 2-[[2-[[3-[butylamino(oxo)methyl]-4-hydroxy-8-[[2-methylpropoxy(oxo)methyl]amino]-1-naphthalenyl]oxy]ethylthio]methyl]tetradecanoic acid IUPAC Name: 2-[2-[3-(butylcarbamoyl)-4-hydroxy-8-(2-methylpropoxycarbonylamino)naphthalen-1-yl]oxyethylsulfanylmethyl]tetradecanoic acid Traditional Name: 2-[[2-[3-(butylcarbamoyl)-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthoxy]ethylthio]methyl]myristic acid Formula: C37H58N2O7S MolecularWeight: 674.93062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CSCCOC1=C2C(=C(C(=C1)C(=O)NCCCC)O)C=CC=C2NC(=O)OCC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CSCCOC1=C2C(=C(C(=C1)C(=O)NCCCC)O)C=CC=C2NC(=O)OCC(C)C)C(=O)O

InChI

InChI=1S/C37H58N2O7S/c1-5-7-9-10-11-12-13-14-15-16-18-28(36(42)43)26-47-23-22-45-32-24-30(35(41)38-21-8-6-2)34(40)29-19-17-20-31(33(29)32)39-37(44)46-25-27(3)4/h17,19-20,24,27-28,40H,5-16,18,21-23,25-26H2,1-4H3,(H,38,41)(H,39,44)(H,42,43)