4-[[3-(2-methylpentanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(2-methylpentanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(2-methylpentanoylamino)benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[(2-methyl-1-oxopentyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(2-methylpentanoylamino)benzoyl]amino]benzoic acid Traditional Name: 4-[[3-(2-methylpentanoylamino)benzoyl]amino]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-5-13(2)18(23)22-17-7-4-6-15(12-17)19(24)21-16-10-8-14(9-11-16)20(25)26/h4,6-13H,3,5H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)