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

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22O3/c1-19-12-14-21(15-13-19)24-11-7-6-9-20(24)8-4-5-10-22-16-17-23(26(27)29-3)18-25(22)28-2/h4,6-9,11-18H,1-3H3/b8-4+