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

Systemtic Name: 2-[[(E)-5-(4-cyclohexylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-5-(4-cyclohexylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-5-(4-cyclohexylphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-5-(4-cyclohexylphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-5-(4-cyclohexylphenyl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C26H29NO2 MolecularWeight: 387.51396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC=C(C=C1)C2CCCCC2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC=C(C=C1)C2CCCCC2)\C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H29NO2/c1-27(20-26(28)29)19-18-25(23-10-6-3-7-11-23)17-14-21-12-15-24(16-13-21)22-8-4-2-5-9-22/h3,6-7,10-13,15-16,18,22H,2,4-5,8-9,19-20H2,1H3,(H,28,29)/b25-18-