3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-propanoic acid

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-propanoic acid Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-propanoic acid CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyanopropanoic acid IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyanopropanoic acid Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-cyano-propionic acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC(C#N)C(=O)O)Br)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)CC(C#N)C(=O)O)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C18H16BrNO4/c1-23-16-9-13(7-14(10-20)18(21)22)8-15(19)17(16)24-11-12-5-3-2-4-6-12/h2-6,8-9,14H,7,11H2,1H3,(H,21,22)