methyl 3-[2-(3,5-dimethylphenyl)phenyl]prop-2-ynoate

Systemtic Name: methyl 3-[2-(3,5-dimethylphenyl)phenyl]prop-2-ynoate Openeye Name: methyl 3-[2-(3,5-dimethylphenyl)phenyl]prop-2-ynoate CAS Name: 3-[2-(3,5-dimethylphenyl)phenyl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[2-(3,5-dimethylphenyl)phenyl]prop-2-ynoate Traditional Name: 3-[2-(3,5-dimethylphenyl)phenyl]propiolic acid methyl ester Formula: C18H16O2 MolecularWeight: 264.31844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC=CC=C2C#CC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC=CC=C2C#CC(=O)OC)C

InChI

InChI=1S/C18H16O2/c1-13-10-14(2)12-16(11-13)17-7-5-4-6-15(17)8-9-18(19)20-3/h4-7,10-12H,1-3H3