2-[(4-carboxyphenyl)amino]-5-[[3-(4-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 2-[(4-carboxyphenyl)amino]-5-[[3-(4-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 2-(4-carboxyanilino)-5-[[3-(4-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-(4-carboxyanilino)-5-[[3-(4-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 2-(4-carboxyanilino)-5-[[3-(4-octadecoxyphenyl)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 2-(4-carboxyanilino)-5-[[3-keto-3-(4-stearyloxyphenyl)propanoyl]amino]benzoic acid Formula: C41H54N2O7 MolecularWeight: 686.87666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=C(C=C2)NC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=C(C=C2)NC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C41H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-50-35-25-20-31(21-26-35)38(44)30-39(45)43-34-24-27-37(36(29-34)41(48)49)42-33-22-18-32(19-23-33)40(46)47/h18-27,29,42H,2-17,28,30H2,1H3,(H,43,45)(H,46,47)(H,48,49)