methyl 2-[2-[2-(1-oxidanylpropyl)phenyl]ethynyl]benzoate

Systemtic Name: methyl 2-[2-[2-(1-oxidanylpropyl)phenyl]ethynyl]benzoate Openeye Name: methyl 2-[2-[2-(1-hydroxypropyl)phenyl]ethynyl]benzoate CAS Name: 2-[2-[2-(1-hydroxypropyl)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-(1-hydroxypropyl)phenyl]ethynyl]benzoate Traditional Name: 2-[2-[2-(1-hydroxypropyl)phenyl]ethynyl]benzoic acid methyl ester Formula: C19H18O3 MolecularWeight: 294.34442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C#CC2=CC=CC=C2C(=O)OC)O

Isomeric SMILES

CCC(C1=CC=CC=C1C#CC2=CC=CC=C2C(=O)OC)O

InChI

InChI=1S/C19H18O3/c1-3-18(20)16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19(21)22-2/h4-11,18,20H,3H2,1-2H3