(3S)-3-(4-tert-butylphenyl)-3-[2-(2-chloranylphenoxy)ethanoylamino]propanoate

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-[2-(2-chloranylphenoxy)ethanoylamino]propanoate Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(2-chlorophenoxy)acetyl]amino]propanoate CAS Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]propanoate IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(2-chlorophenoxy)acetyl]amino]propanoate Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(2-chlorophenoxy)acetyl]amino]propionate Formula: C21H23ClNO4- MolecularWeight: 388.86462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)COC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)COC2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClNO4/c1-21(2,3)15-10-8-14(9-11-15)17(12-20(25)26)23-19(24)13-27-18-7-5-4-6-16(18)22/h4-11,17H,12-13H2,1-3H3,(H,23,24)(H,25,26)/p-1/t17-/m0/s1