ethyl 4-[(E)-4-(2-methoxycarbonyl-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate

Systemtic Name: ethyl 4-[(E)-4-(2-methoxycarbonyl-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-(2-methoxycarbonyl-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2-methoxycarbonyl-6,6-dimethyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(2-methoxycarbonyl-6,6-dimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(2-carbomethoxy-6,6-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2(C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C2=C(CCCC2(C)C)C(=O)OC

InChI

InChI=1S/C23H26O4/c1-5-27-21(24)18-14-12-17(13-15-18)9-6-7-11-20-19(22(25)26-4)10-8-16-23(20,2)3/h7,11-15H,5,8,10,16H2,1-4H3/b11-7+