ethyl (5R,6R)-5-methyl-6-[(phenylmethyl)amino]cyclohexene-1-carboxylate

Systemtic Name: ethyl (5R,6R)-5-methyl-6-[(phenylmethyl)amino]cyclohexene-1-carboxylate Openeye Name: ethyl (5R,6R)-6-(benzylamino)-5-methyl-cyclohexene-1-carboxylate CAS Name: (5R,6R)-5-methyl-6-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (5R,6R)-6-(benzylamino)-5-methylcyclohexene-1-carboxylate Traditional Name: (5R,6R)-6-(benzylamino)-5-methyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCC(C1NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CCC[C@H]([C@H]1NCC2=CC=CC=C2)C

InChI

InChI=1S/C17H23NO2/c1-3-20-17(19)15-11-7-8-13(2)16(15)18-12-14-9-5-4-6-10-14/h4-6,9-11,13,16,18H,3,7-8,12H2,1-2H3/t13-,16-/m1/s1