3-[[4-[(butanoylamino)methyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(butanoylamino)methyl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(butanoylamino)methyl]benzoyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-[(1-oxobutylamino)methyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 3-[[4-[(butanoylamino)methyl]benzoyl]amino]benzoic acid Traditional Name: 3-[[4-(butyramidomethyl)benzoyl]amino]benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4/c1-2-4-17(22)20-12-13-7-9-14(10-8-13)18(23)21-16-6-3-5-15(11-16)19(24)25/h3,5-11H,2,4,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)