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

Systemtic Name: 1-phenylpenta-1,4-diyn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Openeye Name: (1-ethynyl-3-phenyl-prop-2-ynyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid 1-phenylpenta-1,4-diyn-3-yl ester IUPAC Name: 1-phenylpenta-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-3-phenyl-prop-2-ynyl) ester Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OC(C#C)C#CC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC1C(C1(C)C)C(=O)OC(C#C)C#CC2=CC=CC=C2)C

InChI

InChI=1S/C21H22O2/c1-6-17(13-12-16-10-8-7-9-11-16)23-20(22)19-18(14-15(2)3)21(19,4)5/h1,7-11,14,17-19H,2-5H3