methyl (1R,5S)-5-[(R)-(4-ethanoylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,5S)-5-[(R)-(4-ethanoylphenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,5S)-5-[(R)-(4-acetylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,5S)-5-[(R)-(4-acetylphenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-[(R)-(4-acetylphenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,5S)-5-[(R)-(4-acetylphenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(C2CC(CC=C2)C(=O)OC)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)[C@@H]([C@H]2C[C@@H](CC=C2)C(=O)OC)O

InChI

InChI=1S/C17H20O4/c1-11(18)12-6-8-13(9-7-12)16(19)14-4-3-5-15(10-14)17(20)21-2/h3-4,6-9,14-16,19H,5,10H2,1-2H3/t14-,15-,16+/m1/s1