methyl (5S,6R)-6-(2-cyanoethyl)-5-methyl-5-oxidanyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate

Systemtic Name: methyl (5S,6R)-6-(2-cyanoethyl)-5-methyl-5-oxidanyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl (5S,6R)-6-(2-cyanoethyl)-5-hydroxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: (5S,6R)-6-(2-cyanoethyl)-5-hydroxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-6-(2-cyanoethyl)-5-hydroxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: (5S,6R)-6-(2-cyanoethyl)-5-hydroxy-5-methyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CCCC1(CCC#N)C(=O)OC)O

Isomeric SMILES

C[C@@]1(C2=CC=CC=C2CCC[C@]1(CCC#N)C(=O)OC)O

InChI

InChI=1S/C17H21NO3/c1-16(20)14-9-4-3-7-13(14)8-5-10-17(16,11-6-12-18)15(19)21-2/h3-4,7,9,20H,5-6,8,10-11H2,1-2H3/t16-,17-/m0/s1