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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-prop-2-enoic acid Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-prop-2-enoic acid CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-2-propenoic acid IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyanoprop-2-enoic acid Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-cyano-acrylic acid Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO4/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/h2-9H,11H2,1H3,(H,21,22)