2-(butylcarbamoyl)-5-[4-(butylcarbamoyl)-3-carboxy-phenyl]carbonyl-benzoic acid

Systemtic Name: 2-(butylcarbamoyl)-5-[4-(butylcarbamoyl)-3-carboxy-phenyl]carbonyl-benzoic acid Openeye Name: 2-(butylcarbamoyl)-5-[4-(butylcarbamoyl)-3-carboxy-benzoyl]benzoic acid CAS Name: 2-[butylamino(oxo)methyl]-5-[[4-[butylamino(oxo)methyl]-3-carboxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(butylcarbamoyl)-5-[4-(butylcarbamoyl)-3-carboxybenzoyl]benzoic acid Traditional Name: 2-(butylcarbamoyl)-5-[4-(butylcarbamoyl)-3-carboxy-benzoyl]benzoic acid Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)NCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCNC(=O)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)NCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C25H28N2O7/c1-3-5-11-26-22(29)17-9-7-15(13-19(17)24(31)32)21(28)16-8-10-18(20(14-16)25(33)34)23(30)27-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)(H,33,34)