4-[(4-cyano-2-ethyl-2-methyl-pentanoyl)amino]benzoic acid

Systemtic Name: 4-[(4-cyano-2-ethyl-2-methyl-pentanoyl)amino]benzoic acid Openeye Name: 4-[(4-cyano-2-ethyl-2-methyl-pentanoyl)amino]benzoic acid CAS Name: 4-[(4-cyano-2-ethyl-2-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 4-[(4-cyano-2-ethyl-2-methylpentanoyl)amino]benzoic acid Traditional Name: 4-[(4-cyano-2-ethyl-2-methyl-pentanoyl)amino]benzoic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)C#N)C(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C)(CC(C)C#N)C(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-4-16(3,9-11(2)10-17)15(21)18-13-7-5-12(6-8-13)14(19)20/h5-8,11H,4,9H2,1-3H3,(H,18,21)(H,19,20)