2-[(E)-4-[5-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[5-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[5-(methoxymethoxy)-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[5-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[5-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[5-(methoxymethoxy)-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C26H21O4- MolecularWeight: 397.44254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OCOC)C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OCOC)/C=C/C#CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C26H22O4/c1-19-11-13-21(14-12-19)24-16-15-23(30-18-29-2)17-22(24)9-4-3-7-20-8-5-6-10-25(20)26(27)28/h4-6,8-17H,18H2,1-2H3,(H,27,28)/p-1/b9-4+