(E)-3-(5-bromanyl-2-pyrrolidin-1-yl-phenyl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-2-pyrrolidin-1-yl-phenyl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-2-pyrrolidin-1-yl-phenyl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-(1-pyrrolidinyl)phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(5-bromo-2-pyrrolidino-phenyl)-2-methyl-acrylic acid Formula: C14H16BrNO2 MolecularWeight: 310.18634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)Br)N2CCCC2)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)Br)N2CCCC2)/C(=O)O

InChI

InChI=1S/C14H16BrNO2/c1-10(14(17)18)8-11-9-12(15)4-5-13(11)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/b10-8+