2-[[3-[2-(2-acetamidophenyl)ethylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxymethyl]tetradecanoic acid

Systemtic Name: 2-[[3-[2-(2-acetamidophenyl)ethylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxymethyl]tetradecanoic acid Openeye Name: 2-[[3-[2-(2-acetamidophenyl)ethylcarbamoyl]-4-hydroxy-1-naphthyl]oxymethyl]tetradecanoic acid CAS Name: 2-[[3-[[2-(2-acetamidophenyl)ethylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]oxymethyl]tetradecanoic acid IUPAC Name: 2-[[3-[2-(2-acetamidophenyl)ethylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxymethyl]tetradecanoic acid Traditional Name: 2-[[3-[2-(2-acetamidophenyl)ethylcarbamoyl]-4-hydroxy-1-naphthoxy]methyl]myristic acid Formula: C36H48N2O6 MolecularWeight: 604.77612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(COC1=CC(=C(C2=CC=CC=C21)O)C(=O)NCCC3=CC=CC=C3NC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(COC1=CC(=C(C2=CC=CC=C21)O)C(=O)NCCC3=CC=CC=C3NC(=O)C)C(=O)O

InChI

InChI=1S/C36H48N2O6/c1-3-4-5-6-7-8-9-10-11-12-18-28(36(42)43)25-44-33-24-31(34(40)30-20-15-14-19-29(30)33)35(41)37-23-22-27-17-13-16-21-32(27)38-26(2)39/h13-17,19-21,24,28,40H,3-12,18,22-23,25H2,1-2H3,(H,37,41)(H,38,39)(H,42,43)