(E)-3-[4-bromanyl-2-[cycloheptyl(methyl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-[cycloheptyl(methyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[cycloheptyl(methyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[cycloheptyl(methyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[cycloheptyl(methyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[cycloheptyl(methyl)amino]phenyl]acrylic acid Formula: C17H22BrNO2 MolecularWeight: 352.26608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCCC1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CN(C1CCCCCC1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C17H22BrNO2/c1-19(15-6-4-2-3-5-7-15)16-12-14(18)10-8-13(16)9-11-17(20)21/h8-12,15H,2-7H2,1H3,(H,20,21)/b11-9+