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

Systemtic Name: 2-[methyl-[(E)-5-(4-pentylphenyl)-3-phenyl-pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(E)-5-(4-pentylphenyl)-3-phenyl-pent-2-en-4-ynyl]amino]acetic acid CAS Name: 2-[methyl-[(E)-5-(4-pentylphenyl)-3-phenylpent-2-en-4-ynyl]amino]acetic acid IUPAC Name: 2-[methyl-[(E)-5-(4-pentylphenyl)-3-phenylpent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[[(E)-5-(4-amylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC(=CCN(C)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#C/C(=C/CN(C)CC(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C25H29NO2/c1-3-4-6-9-21-12-14-22(15-13-21)16-17-24(23-10-7-5-8-11-23)18-19-26(2)20-25(27)28/h5,7-8,10-15,18H,3-4,6,9,19-20H2,1-2H3,(H,27,28)/b24-18-