2-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromanyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromanyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-cyanophenyl)allyloxy]-3-bromo-phenyl]acetic acid CAS Name: 2-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromophenyl]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromophenyl]acetic acid Traditional Name: 2-[4-[3,3-bis(4-cyanophenyl)allyloxy]-3-bromo-phenyl]acetic acid Formula: C25H17BrN2O3 MolecularWeight: 473.31808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=CCOC2=C(C=C(C=C2)CC(=O)O)Br)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=CCOC2=C(C=C(C=C2)CC(=O)O)Br)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H17BrN2O3/c26-23-13-19(14-25(29)30)5-10-24(23)31-12-11-22(20-6-1-17(15-27)2-7-20)21-8-3-18(16-28)4-9-21/h1-11,13H,12,14H2,(H,29,30)