2-(12-bromanyldodecanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(12-bromanyldodecanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(12-bromododecanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[(12-bromo-1-oxododecyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-(12-bromododecanoylamino)-3-phenylpropanoic acid Traditional Name: 2-(12-bromododecanoylamino)-3-phenyl-propionic acid Formula: C21H32BrNO3 MolecularWeight: 426.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCCCCCCCCBr

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCCCCCCCCCCBr

InChI

InChI=1S/C21H32BrNO3/c22-16-12-7-5-3-1-2-4-6-11-15-20(24)23-19(21(25)26)17-18-13-9-8-10-14-18/h8-10,13-14,19H,1-7,11-12,15-17H2,(H,23,24)(H,25,26)