(phenylmethyl) (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: (phenylmethyl) (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylate Openeye Name: benzyl (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylate CAS Name: (1S,2S)-2-[[(1R)-1-phenylethyl]amino]-1-cyclohex-3-enecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclohex-3-ene-1-carboxylic acid benzyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2C=CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N[C@H]2C=CCC[C@@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO2/c1-17(19-12-6-3-7-13-19)23-21-15-9-8-14-20(21)22(24)25-16-18-10-4-2-5-11-18/h2-7,9-13,15,17,20-21,23H,8,14,16H2,1H3/t17-,20+,21+/m1/s1