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

Systemtic Name: 4-[[(4-carboxyphenyl)-[6-(3-decoxyphenoxy)hexanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[4-carboxy-N-[6-(3-decoxyphenoxy)hexanoyl]anilino]methyl]benzoic acid CAS Name: 4-[(4-carboxy-N-[6-(3-decoxyphenoxy)-1-oxohexyl]anilino)methyl]benzoic acid IUPAC Name: 4-[[4-carboxy-N-[6-(3-decoxyphenoxy)hexanoyl]anilino]methyl]benzoic acid Traditional Name: 4-[[4-carboxy-N-[6-(3-decoxyphenoxy)hexanoyl]anilino]methyl]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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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