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

Systemtic Name: 2-[methyl-[(E)-5-(4-phenoxyphenyl)-3-phenyl-pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(E)-5-(4-phenoxyphenyl)-3-phenyl-pent-2-en-4-ynyl]amino]acetic acid CAS Name: 2-[methyl-[(E)-5-(4-phenoxyphenyl)-3-phenylpent-2-en-4-ynyl]amino]acetic acid IUPAC Name: 2-[methyl-[(E)-5-(4-phenoxyphenyl)-3-phenylpent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[methyl-[(E)-5-(4-phenoxyphenyl)-3-phenyl-pent-2-en-4-ynyl]amino]acetic acid Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC=C(C=C1)OC2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC=C(C=C1)OC2=CC=CC=C2)\C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H23NO3/c1-27(20-26(28)29)19-18-23(22-8-4-2-5-9-22)15-12-21-13-16-25(17-14-21)30-24-10-6-3-7-11-24/h2-11,13-14,16-18H,19-20H2,1H3,(H,28,29)/b23-18-