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

Systemtic Name: 3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromanyl-phenyl]propanoic acid Openeye Name: 3-[4-[3,3-bis(4-cyanophenyl)allyloxy]-3-bromo-phenyl]propanoic acid CAS Name: 3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromophenyl]propanoic acid IUPAC Name: 3-[4-[3,3-bis(4-cyanophenyl)prop-2-enoxy]-3-bromophenyl]propanoic acid Traditional Name: 3-[4-[3,3-bis(4-cyanophenyl)allyloxy]-3-bromo-phenyl]propionic acid Formula: C26H19BrN2O3 MolecularWeight: 487.34466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19BrN2O3/c27-24-15-18(6-12-26(30)31)5-11-25(24)32-14-13-23(21-7-1-19(16-28)2-8-21)22-9-3-20(17-29)4-10-22/h1-5,7-11,13,15H,6,12,14H2,(H,30,31)