(3S)-3-(4-tert-butylphenyl)-3-[2-(4-methoxyphenoxy)ethanoylamino]propanoic acid

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-[2-(4-methoxyphenoxy)ethanoylamino]propanoic acid Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoic acid CAS Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)-1-oxoethyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoic acid Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propionic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)COC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27NO5/c1-22(2,3)16-7-5-15(6-8-16)19(13-21(25)26)23-20(24)14-28-18-11-9-17(27-4)10-12-18/h5-12,19H,13-14H2,1-4H3,(H,23,24)(H,25,26)/t19-/m0/s1