1-phenylprop-2-ynyl 4-methylbenzoate

Systemtic Name: 1-phenylprop-2-ynyl 4-methylbenzoate Openeye Name: 1-phenylprop-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 1-phenylprop-2-ynyl ester IUPAC Name: 1-phenylprop-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 1-phenylprop-2-ynyl ester Formula: C17H14O2 MolecularWeight: 250.29186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O2/c1-3-16(14-7-5-4-6-8-14)19-17(18)15-11-9-13(2)10-12-15/h1,4-12,16H,2H3