propan-2-yl (3S)-3-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl (3S)-3-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3S)-3-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C21H23BrFNO5 MolecularWeight: 468.313423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrFNO5/c1-13(2)29-21(26)11-18(14-4-7-16(27-3)8-5-14)24-20(25)12-28-19-9-6-15(23)10-17(19)22/h4-10,13,18H,11-12H2,1-3H3,(H,24,25)/t18-/m0/s1