4-[(octanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(octanoylamino)methyl]benzoic acid Openeye Name: 4-[(octanoylamino)methyl]benzoic acid CAS Name: 4-[(1-oxooctylamino)methyl]benzoic acid IUPAC Name: 4-[(octanoylamino)methyl]benzoic acid Traditional Name: 4-[(caprylylamino)methyl]benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H23NO3/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(11-9-13)16(19)20/h8-11H,2-7,12H2,1H3,(H,17,18)(H,19,20)