[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-phenylethanoate

Systemtic Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-phenylethanoate Openeye Name: [(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl] ester IUPAC Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl] ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C)OC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C)OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,10-13,17H,8-9,14-15H2,1-4H3/b13-12+