2-(butanoylamino)-5-[4-(butanoylamino)-3-carboxylato-phenyl]benzoate

Systemtic Name: 2-(butanoylamino)-5-[4-(butanoylamino)-3-carboxylato-phenyl]benzoate Openeye Name: 2-(butanoylamino)-5-[4-(butanoylamino)-3-carboxylato-phenyl]benzoate CAS Name: 5-[3-carboxylato-4-(1-oxobutylamino)phenyl]-2-(1-oxobutylamino)benzoate IUPAC Name: 2-(butanoylamino)-5-[4-(butanoylamino)-3-carboxylatophenyl]benzoate Traditional Name: 2-butyramido-5-(4-butyramido-3-carboxylato-phenyl)benzoate Formula: C22H22N2O6-2 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CCC)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CCC)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-3-5-19(25)23-17-9-7-13(11-15(17)21(27)28)14-8-10-18(16(12-14)22(29)30)24-20(26)6-4-2/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/p-2