4-chloranyl-3-(2-ethylhexanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-ethylhexanoylamino)benzoic acid Openeye Name: 4-chloro-3-(2-ethylhexanoylamino)benzoic acid CAS Name: 4-chloro-3-[(2-ethyl-1-oxohexyl)amino]benzoic acid IUPAC Name: 4-chloro-3-(2-ethylhexanoylamino)benzoic acid Traditional Name: 4-chloro-3-(2-ethylhexanoylamino)benzoic acid Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C15H20ClNO3/c1-3-5-6-10(4-2)14(18)17-13-9-11(15(19)20)7-8-12(13)16/h7-10H,3-6H2,1-2H3,(H,17,18)(H,19,20)