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

Systemtic Name: methyl 4-[(E)-4-[3-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[3-methoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[3-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[3-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[3-methoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C26H22O3 MolecularWeight: 382.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC=C2OC)C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC=C2OC)/C=C/C#CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H22O3/c1-19-11-15-22(16-12-19)25-21(9-6-10-24(25)28-2)8-5-4-7-20-13-17-23(18-14-20)26(27)29-3/h5-6,8-18H,1-3H3/b8-5+