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

Systemtic Name: methyl 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(3-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=CC(=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H24O3/c1-3-19-30-25-13-8-12-24(20-25)26-14-7-6-11-22(26)10-5-4-9-21-15-17-23(18-16-21)27(28)29-2/h5-8,10-18,20H,3,19H2,1-2H3/b10-5+