ethyl (E)-3-[1-methyl-2-oxidanyl-2-(2-phenylethynyl)cyclohexyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-methyl-2-oxidanyl-2-(2-phenylethynyl)cyclohexyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-hydroxy-1-methyl-2-(2-phenylethynyl)cyclohexyl]prop-2-enoate CAS Name: (E)-3-[2-hydroxy-1-methyl-2-(2-phenylethynyl)cyclohexyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-hydroxy-1-methyl-2-(2-phenylethynyl)cyclohexyl]prop-2-enoate Traditional Name: (E)-3-[2-hydroxy-1-methyl-2-(2-phenylethynyl)cyclohexyl]acrylic acid ethyl ester Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1(CCCCC1(C#CC2=CC=CC=C2)O)C

Isomeric SMILES

CCOC(=O)/C=C/C1(CCCCC1(C#CC2=CC=CC=C2)O)C

InChI

InChI=1S/C20H24O3/c1-3-23-18(21)12-15-19(2)13-7-8-14-20(19,22)16-11-17-9-5-4-6-10-17/h4-6,9-10,12,15,22H,3,7-8,13-14H2,1-2H3/b15-12+