2-[carboxymethyl-[3-[3-(4-methoxyphenyl)propoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenyl)propoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenyl)propoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-[3-(4-methoxyphenyl)propoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenyl)propoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-[3-(4-methoxyphenyl)propoxy]-5-stearyloxy-benzoyl]amino]acetic acid Formula: C39H59NO8 MolecularWeight: 669.88766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCC2=CC=C(C=C2)OC)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OCCCC2=CC=C(C=C2)OC)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C39H59NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-47-35-27-33(39(45)40(30-37(41)42)31-38(43)44)28-36(29-35)48-26-19-20-32-21-23-34(46-2)24-22-32/h21-24,27-29H,3-20,25-26,30-31H2,1-2H3,(H,41,42)(H,43,44)