7-[(4-butylphenyl)methyl-propanoyl-amino]heptanoic acid

Systemtic Name: 7-[(4-butylphenyl)methyl-propanoyl-amino]heptanoic acid Openeye Name: 7-[(4-butylphenyl)methyl-propanoyl-amino]heptanoic acid CAS Name: 7-[(4-butylphenyl)methyl-(1-oxopropyl)amino]heptanoic acid IUPAC Name: 7-[(4-butylphenyl)methyl-propanoylamino]heptanoic acid Traditional Name: 7-[(4-butylbenzyl)-propionyl-amino]enanthic acid Formula: C21H33NO3 MolecularWeight: 347.49162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)C(=O)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)O)C(=O)CC

InChI

InChI=1S/C21H33NO3/c1-3-5-10-18-12-14-19(15-13-18)17-22(20(23)4-2)16-9-7-6-8-11-21(24)25/h12-15H,3-11,16-17H2,1-2H3,(H,24,25)