4-[3-(4-carboxyphenyl)iminobutanoylamino]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)iminobutanoylamino]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)iminobutanoylamino]benzoic acid CAS Name: 4-[[3-(4-carboxyphenyl)imino-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)iminobutanoylamino]benzoic acid Traditional Name: 4-[3-(4-carboxyphenyl)iminobutanoylamino]benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=C(C=C1)C(=O)O)CC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=NC1=CC=C(C=C1)C(=O)O)CC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H16N2O5/c1-11(19-14-6-2-12(3-7-14)17(22)23)10-16(21)20-15-8-4-13(5-9-15)18(24)25/h2-9H,10H2,1H3,(H,20,21)(H,22,23)(H,24,25)