(2E)-2-[(5-bromanyl-2-pyrrolidin-1-yl-phenyl)methylidene]butanoic acid

Systemtic Name: (2E)-2-[(5-bromanyl-2-pyrrolidin-1-yl-phenyl)methylidene]butanoic acid Openeye Name: (2E)-2-[(5-bromo-2-pyrrolidin-1-yl-phenyl)methylene]butanoic acid CAS Name: (2E)-2-[[5-bromo-2-(1-pyrrolidinyl)phenyl]methylidene]butanoic acid IUPAC Name: (2E)-2-[(5-bromo-2-pyrrolidin-1-ylphenyl)methylidene]butanoic acid Traditional Name: (E)-3-(5-bromo-2-pyrrolidino-phenyl)-2-ethyl-acrylic acid Formula: C15H18BrNO2 MolecularWeight: 324.21292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO2/c1-2-11(15(18)19)9-12-10-13(16)5-6-14(12)17-7-3-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19)/b11-9+