2-[[(E)-5-(4-bromophenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-5-(4-bromophenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-5-(4-bromophenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-5-(4-bromophenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-5-(4-bromophenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-5-(4-bromophenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC=C(C=C1)Br)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC=C(C=C1)Br)\C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C20H18BrNO2/c1-22(15-20(23)24)14-13-18(17-5-3-2-4-6-17)10-7-16-8-11-19(21)12-9-16/h2-6,8-9,11-13H,14-15H2,1H3,(H,23,24)/b18-13-