ethyl 4-[2-(1-prop-2-enylcycloheptyl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(1-prop-2-enylcycloheptyl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-allylcycloheptyl)ethynyl]benzoate CAS Name: 4-[2-(1-prop-2-enylcycloheptyl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-prop-2-enylcycloheptyl)ethynyl]benzoate Traditional Name: 4-[2-(1-allylcycloheptyl)ethynyl]benzoic acid ethyl ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2(CCCCCC2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2(CCCCCC2)CC=C

InChI

InChI=1S/C21H26O2/c1-3-14-21(15-7-5-6-8-16-21)17-13-18-9-11-19(12-10-18)20(22)23-4-2/h3,9-12H,1,4-8,14-16H2,2H3