(Z)-3-cyano-2-[3-methoxy-4-oxidanyl-5-(phenylmethyl)naphthalen-1-yl]prop-2-enoic acid

Systemtic Name: (Z)-3-cyano-2-[3-methoxy-4-oxidanyl-5-(phenylmethyl)naphthalen-1-yl]prop-2-enoic acid Openeye Name: (Z)-2-(5-benzyl-4-hydroxy-3-methoxy-1-naphthyl)-3-cyano-prop-2-enoic acid CAS Name: (Z)-3-cyano-2-[4-hydroxy-3-methoxy-5-(phenylmethyl)-1-naphthalenyl]-2-propenoic acid IUPAC Name: (Z)-2-(5-benzyl-4-hydroxy-3-methoxynaphthalen-1-yl)-3-cyanoprop-2-enoic acid Traditional Name: (Z)-2-(5-benzyl-4-hydroxy-3-methoxy-1-naphthyl)-3-cyano-acrylic acid Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC=C2CC3=CC=CC=C3)C(=C1)C(=CC#N)C(=O)O)O

Isomeric SMILES

COC1=C(C2=C(C=CC=C2CC3=CC=CC=C3)C(=C1)/C(=C/C#N)/C(=O)O)O

InChI

InChI=1S/C22H17NO4/c1-27-19-13-18(17(10-11-23)22(25)26)16-9-5-8-15(20(16)21(19)24)12-14-6-3-2-4-7-14/h2-10,13,24H,12H2,1H3,(H,25,26)/b17-10-