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

Systemtic Name: 2-[[(E)-5-(4-ethylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-5-(4-ethylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-5-(4-ethylphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-5-(4-ethylphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-5-(4-ethylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C#CC(=CCN(C)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C#C/C(=C/CN(C)CC(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C22H23NO2/c1-3-18-9-11-19(12-10-18)13-14-21(20-7-5-4-6-8-20)15-16-23(2)17-22(24)25/h4-12,15H,3,16-17H2,1-2H3,(H,24,25)/b21-15-