2-[3-[(3-bromanyl-4-methoxy-phenyl)methoxycarbonylamino]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 2-[3-[(3-bromanyl-4-methoxy-phenyl)methoxycarbonylamino]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[3-[(3-bromo-4-methoxy-phenyl)methoxycarbonylamino]phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[3-[[(3-bromo-4-methoxyphenyl)methoxy-oxomethyl]amino]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[3-[(3-bromo-4-methoxyphenyl)methoxycarbonylamino]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-[3-[(3-bromo-4-methoxy-benzyl)oxycarbonylamino]phenyl]-2-isopropoxy-propionic acid Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C)(C1=CC(=CC=C1)NC(=O)OCC2=CC(=C(C=C2)OC)Br)C(=O)O

Isomeric SMILES

CC(C)OC(C)(C1=CC(=CC=C1)NC(=O)OCC2=CC(=C(C=C2)OC)Br)C(=O)O

InChI

InChI=1S/C21H24BrNO6/c1-13(2)29-21(3,19(24)25)15-6-5-7-16(11-15)23-20(26)28-12-14-8-9-18(27-4)17(22)10-14/h5-11,13H,12H2,1-4H3,(H,23,26)(H,24,25)