3-[[2-chloranyl-4-(2-cyano-2-naphthalen-2-yl-ethenyl)-6-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-(2-cyano-2-naphthalen-2-yl-ethenyl)-6-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[2-cyano-2-(2-naphthyl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[2-cyano-2-(2-naphthalenyl)ethenyl]-6-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-(2-cyano-2-naphthalen-2-ylethenyl)-6-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[2-cyano-2-(2-naphthyl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C29H22ClNO4 MolecularWeight: 483.94228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=CC=CC=C3C=C2)Cl)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC3=CC=CC=C3C=C2)Cl)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C29H22ClNO4/c1-2-34-27-15-20(13-25(17-31)23-11-10-21-7-3-4-8-22(21)16-23)14-26(30)28(27)35-18-19-6-5-9-24(12-19)29(32)33/h3-16H,2,18H2,1H3,(H,32,33)