2-[[(E)-3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-(4-fluorophenyl)-5-(4-isopropylphenyl)pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-3-(4-fluorophenyl)-5-p-cumenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C23H24FNO2 MolecularWeight: 365.440563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FNO2/c1-17(2)19-7-4-18(5-8-19)6-9-21(14-15-25(3)16-23(26)27)20-10-12-22(24)13-11-20/h4-5,7-8,10-14,17H,15-16H2,1-3H3,(H,26,27)/b21-14-