4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]butanoate

Systemtic Name: 4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]butanoate Openeye Name: 4-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]butanoate CAS Name: 4-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]butyrate Formula: C16H21BrNO4- MolecularWeight: 371.24624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C16H22BrNO4/c1-16(2,3)12-9-11(17)6-7-13(12)22-10-14(19)18-8-4-5-15(20)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19)(H,20,21)/p-1