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

Systemtic Name: 2-[(E)-4-[3-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[3-(methoxymethoxy)-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[3-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[3-(methoxymethoxy)-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[3-(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=CC=C2OCOC)C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC=C2OCOC)/C=C/C#CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C26H22O4/c1-19-14-16-22(17-15-19)25-21(11-7-13-24(25)30-18-29-2)10-4-3-8-20-9-5-6-12-23(20)26(27)28/h4-7,9-17H,18H2,1-2H3,(H,27,28)/p-1/b10-4+