(E)-3-[2-(azepan-2-yl)-5-bromanyl-phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[2-(azepan-2-yl)-5-bromanyl-phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2-(azepan-2-yl)-5-bromo-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2-(2-azepanyl)-5-bromophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2-(azepan-2-yl)-5-bromophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2-(azepan-2-yl)-5-bromo-phenyl]-2-methyl-acrylic acid Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)Br)C2CCCCCN2)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)Br)C2CCCCCN2)/C(=O)O

InChI

InChI=1S/C16H20BrNO2/c1-11(16(19)20)9-12-10-13(17)6-7-14(12)15-5-3-2-4-8-18-15/h6-7,9-10,15,18H,2-5,8H2,1H3,(H,19,20)/b11-9+