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

Systemtic Name: 4-[2-(octanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(octanoylamino)ethyl]benzoic acid CAS Name: 4-[2-(1-oxooctylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(octanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(caprylylamino)ethyl]benzoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-16(19)18-13-12-14-8-10-15(11-9-14)17(20)21/h8-11H,2-7,12-13H2,1H3,(H,18,19)(H,20,21)