7-phenylhepta-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Systemtic Name: 7-phenylhepta-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Openeye Name: (1-ethynyl-5-phenyl-pent-2-ynyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid 7-phenylhepta-1,4-diyn-3-yl ester IUPAC Name: 7-phenylhepta-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (1-ethynyl-5-phenyl-pent-2-ynyl) ester Formula: C23H26O2 MolecularWeight: 334.45134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OC(C#C)C#CCCC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC1C(C1(C)C)C(=O)OC(C#C)C#CCCC2=CC=CC=C2)C

InChI

InChI=1S/C23H26O2/c1-6-19(15-11-10-14-18-12-8-7-9-13-18)25-22(24)21-20(16-17(2)3)23(21,4)5/h1,7-9,12-13,16,19-21H,10,14H2,2-5H3