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

Systemtic Name: 2-[carboxymethyl-[2-[(4-hydroxyphenyl)methoxy]-3-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[(4-hydroxyphenyl)methoxy]-3-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[2-[(4-hydroxyphenyl)methoxy]-3-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[(4-hydroxyphenyl)methoxy]-3-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(4-hydroxybenzyl)oxy-3-stearyloxy-benzoyl]amino]acetic acid Formula: C36H53NO8 MolecularWeight: 627.80792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1OCC2=CC=C(C=C2)O)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1OCC2=CC=C(C=C2)O)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H53NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-44-32-20-18-19-31(36(43)37(26-33(39)40)27-34(41)42)35(32)45-28-29-21-23-30(38)24-22-29/h18-24,38H,2-17,25-28H2,1H3,(H,39,40)(H,41,42)