2-[4-[2-[bis(4-pyridin-3-ylphenyl)methylidene]butoxy]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[bis(4-pyridin-3-ylphenyl)methylidene]butoxy]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[bis[4-(3-pyridyl)phenyl]methylene]butoxy]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-[bis[4-(3-pyridinyl)phenyl]methylidene]butoxy]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-[bis(4-pyridin-3-ylphenyl)methylidene]butoxy]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-ethyl-3,3-bis[4-(3-pyridyl)phenyl]allyloxy]-2-methyl-phenoxy]acetic acid Formula: C36H32N2O4 MolecularWeight: 556.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)C2=CN=CC=C2)C3=CC=C(C=C3)C4=CN=CC=C4)COC5=CC(=C(C=C5)OCC(=O)O)C

Isomeric SMILES

CCC(=C(C1=CC=C(C=C1)C2=CN=CC=C2)C3=CC=C(C=C3)C4=CN=CC=C4)COC5=CC(=C(C=C5)OCC(=O)O)C

InChI

InChI=1S/C36H32N2O4/c1-3-26(23-41-33-16-17-34(25(2)20-33)42-24-35(39)40)36(29-12-8-27(9-13-29)31-6-4-18-37-21-31)30-14-10-28(11-15-30)32-7-5-19-38-22-32/h4-22H,3,23-24H2,1-2H3,(H,39,40)