2-(butanoylamino)-5-[[4-(butanoylamino)-3-carboxy-phenyl]methyl]benzoic acid

Systemtic Name: 2-(butanoylamino)-5-[[4-(butanoylamino)-3-carboxy-phenyl]methyl]benzoic acid Openeye Name: 2-(butanoylamino)-5-[[4-(butanoylamino)-3-carboxy-phenyl]methyl]benzoic acid CAS Name: 5-[[3-carboxy-4-(1-oxobutylamino)phenyl]methyl]-2-(1-oxobutylamino)benzoic acid IUPAC Name: 2-(butanoylamino)-5-[[4-(butanoylamino)-3-carboxyphenyl]methyl]benzoic acid Traditional Name: 2-butyramido-5-(4-butyramido-3-carboxy-benzyl)benzoic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)CC2=CC(=C(C=C2)NC(=O)CCC)C(=O)O)C(=O)O

InChI

InChI=1S/C23H26N2O6/c1-3-5-20(26)24-18-9-7-14(12-16(18)22(28)29)11-15-8-10-19(17(13-15)23(30)31)25-21(27)6-4-2/h7-10,12-13H,3-6,11H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)