2-[azanyl-(6-bromanylpyridin-3-yl)methyl]-3,3-diphenyl-prop-2-enoic acid

Systemtic Name: 2-[azanyl-(6-bromanylpyridin-3-yl)methyl]-3,3-diphenyl-prop-2-enoic acid Openeye Name: 2-[amino-(6-bromo-3-pyridyl)methyl]-3,3-diphenyl-prop-2-enoic acid CAS Name: 2-[amino-(6-bromo-3-pyridinyl)methyl]-3,3-diphenyl-2-propenoic acid IUPAC Name: 2-[amino-(6-bromopyridin-3-yl)methyl]-3,3-diphenylprop-2-enoic acid Traditional Name: 2-[amino-(6-bromo-3-pyridyl)methyl]-3,3-diphenyl-acrylic acid Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(C2=CN=C(C=C2)Br)N)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=C(C(C2=CN=C(C=C2)Br)N)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H17BrN2O2/c22-17-12-11-16(13-24-17)20(23)19(21(25)26)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,20H,23H2,(H,25,26)