3-[(4-carboxyphenyl)methyl-[6-(3-decoxyphenoxy)hexanoyl]amino]benzoic acid

Systemtic Name: 3-[(4-carboxyphenyl)methyl-[6-(3-decoxyphenoxy)hexanoyl]amino]benzoic acid Openeye Name: 3-[(4-carboxyphenyl)methyl-[6-(3-decoxyphenoxy)hexanoyl]amino]benzoic acid CAS Name: 3-[(4-carboxyphenyl)methyl-[6-(3-decoxyphenoxy)-1-oxohexyl]amino]benzoic acid IUPAC Name: 3-[(4-carboxyphenyl)methyl-[6-(3-decoxyphenoxy)hexanoyl]amino]benzoic acid Traditional Name: 3-[(4-carboxybenzyl)-[6-(3-decoxyphenoxy)hexanoyl]amino]benzoic acid Formula: C37H47NO7 MolecularWeight: 617.77158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1)OCCCCCC(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1)OCCCCCC(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C37H47NO7/c1-2-3-4-5-6-7-8-11-24-44-33-17-14-18-34(27-33)45-25-12-9-10-19-35(39)38(32-16-13-15-31(26-32)37(42)43)28-29-20-22-30(23-21-29)36(40)41/h13-18,20-23,26-27H,2-12,19,24-25,28H2,1H3,(H,40,41)(H,42,43)