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

Systemtic Name: methyl (1R,5S)-5-[(R)-(4-cyanophenyl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,5S)-5-[(R)-(4-cyanophenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,5S)-5-[(R)-(4-cyanophenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-[(R)-(4-cyanophenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,5S)-5-[(R)-(4-cyanophenyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC(C1)C(C2=CC=C(C=C2)C#N)O

Isomeric SMILES

COC(=O)[C@@H]1CC=C[C@H](C1)[C@H](C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H17NO3/c1-20-16(19)14-4-2-3-13(9-14)15(18)12-7-5-11(10-17)6-8-12/h2-3,5-8,13-15,18H,4,9H2,1H3/t13-,14-,15+/m1/s1