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

Systemtic Name: ethyl (5S,6R)-5-phenyl-6-[(phenylmethyl)amino]cyclohexene-1-carboxylate Openeye Name: ethyl (5S,6R)-6-(benzylamino)-5-phenyl-cyclohexene-1-carboxylate CAS Name: (5S,6R)-5-phenyl-6-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (5S,6R)-6-(benzylamino)-5-phenylcyclohexene-1-carboxylate Traditional Name: (5S,6R)-6-(benzylamino)-5-phenyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCC(C1NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CCC[C@H]([C@H]1NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO2/c1-2-25-22(24)20-15-9-14-19(18-12-7-4-8-13-18)21(20)23-16-17-10-5-3-6-11-17/h3-8,10-13,15,19,21,23H,2,9,14,16H2,1H3/t19-,21+/m0/s1