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

Systemtic Name: methyl 4-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(4-propylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C27H24O2 MolecularWeight: 380.47826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H24O2/c1-3-8-21-13-17-24(18-14-21)26-12-7-6-11-23(26)10-5-4-9-22-15-19-25(20-16-22)27(28)29-2/h5-7,10-20H,3,8H2,1-2H3/b10-5+