methyl 4-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C27H24O3 MolecularWeight: 396.47766

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H24O3/c1-3-20-30-25-18-16-23(17-19-25)26-11-7-6-10-22(26)9-5-4-8-21-12-14-24(15-13-21)27(28)29-2/h5-7,9-19H,3,20H2,1-2H3/b9-5+