4-[2-(2-ethylhexanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-ethylhexanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(2-ethylhexanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[(2-ethyl-1-oxohexyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(2-ethylhexanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(2-ethylhexanoylamino)ethyl]benzoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-3-5-6-14(4-2)16(19)18-12-11-13-7-9-15(10-8-13)17(20)21/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,19)(H,20,21)