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

Systemtic Name: 3-methyl-4-[[4-(pentanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[4-(pentanoylamino)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[4-(1-oxopentylamino)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[4-(pentanoylamino)benzoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[4-(valerylamino)benzoyl]amino]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-4-5-18(23)21-16-9-6-14(7-10-16)19(24)22-17-11-8-15(20(25)26)12-13(17)2/h6-12H,3-5H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)