ethyl (3S,5R)-5-methyl-3-phenyl-2-[(phenylmethyl)amino]cyclopentene-1-carboxylate

Systemtic Name: ethyl (3S,5R)-5-methyl-3-phenyl-2-[(phenylmethyl)amino]cyclopentene-1-carboxylate Openeye Name: ethyl (3S,5R)-2-(benzylamino)-5-methyl-3-phenyl-cyclopentene-1-carboxylate CAS Name: (3S,5R)-5-methyl-3-phenyl-2-[(phenylmethyl)amino]-1-cyclopentenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5R)-2-(benzylamino)-5-methyl-3-phenylcyclopentene-1-carboxylate Traditional Name: (3S,5R)-2-(benzylamino)-5-methyl-3-phenyl-cyclopentene-1-carboxylic acid ethyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(CC1C)C2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([C@@H](C[C@H]1C)C2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO2/c1-3-25-22(24)20-16(2)14-19(18-12-8-5-9-13-18)21(20)23-15-17-10-6-4-7-11-17/h4-13,16,19,23H,3,14-15H2,1-2H3/t16-,19+/m1/s1