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

Systemtic Name: 2-[[(E)-5-(4-methoxyphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-5-(4-methoxyphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-5-(4-methoxyphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-22(16-21(23)24)15-14-19(18-6-4-3-5-7-18)11-8-17-9-12-20(25-2)13-10-17/h3-7,9-10,12-14H,15-16H2,1-2H3,(H,23,24)/b19-14-