4-phenylbut-2-ynyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Systemtic Name: 4-phenylbut-2-ynyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Openeye Name: 4-phenylbut-2-ynyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid 4-phenylbut-2-ynyl ester IUPAC Name: 4-phenylbut-2-ynyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid 4-phenylbut-2-ynyl ester Formula: C20H24O2 MolecularWeight: 296.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OCC#CCC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC1C(C1(C)C)C(=O)OCC#CCC2=CC=CC=C2)C

InChI

InChI=1S/C20H24O2/c1-15(2)14-17-18(20(17,3)4)19(21)22-13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11,14,17-18H,12-13H2,1-4H3