[(1R,5S)-3-ethynyl-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1R,5S)-3-ethynyl-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1R,5S)-3-ethynyl-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S)-3-ethynyl-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5S)-3-ethynyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S)-3-ethynyl-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] ester Formula: C19H20O2 MolecularWeight: 280.3609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1OC(=O)C2=CC=CC=C2)C(=C)C)C#C

Isomeric SMILES

CC1=C(C[C@@H](C[C@H]1OC(=O)C2=CC=CC=C2)C(=C)C)C#C

InChI

InChI=1S/C19H20O2/c1-5-15-11-17(13(2)3)12-18(14(15)4)21-19(20)16-9-7-6-8-10-16/h1,6-10,17-18H,2,11-12H2,3-4H3/t17-,18+/m0/s1