4-[1-cyano-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[2-(3-allyl-4-benzyloxy-5-methoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)ethenyl]benzoic acid Traditional Name: 4-[2-(3-allyl-4-benzoxy-5-methoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H23NO4/c1-3-7-23-14-20(15-24(17-28)21-10-12-22(13-11-21)27(29)30)16-25(31-2)26(23)32-18-19-8-5-4-6-9-19/h3-6,8-16H,1,7,18H2,2H3,(H,29,30)