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

Systemtic Name: 2-[carboxymethyl-[3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-[3-(4-hydroxyphenyl)propoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-[3-(4-hydroxyphenyl)propoxy]-5-stearyloxy-benzoyl]amino]acetic acid Formula: C38H57NO8 MolecularWeight: 655.86108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-46-34-26-32(38(45)39(29-36(41)42)30-37(43)44)27-35(28-34)47-25-18-19-31-20-22-33(40)23-21-31/h20-23,26-28,40H,2-19,24-25,29-30H2,1H3,(H,41,42)(H,43,44)