methyl (1R,6S)-3,4-dimethyl-6-phenyl-1-[[(phenylmethyl)amino]methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,6S)-3,4-dimethyl-6-phenyl-1-[[(phenylmethyl)amino]methyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,6S)-1-[(benzylamino)methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-phenyl-1-[[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6S)-1-[(benzylamino)methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-1-[(benzylamino)methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C24H29NO2 MolecularWeight: 363.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(CNCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(CNCC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H29NO2/c1-18-14-22(21-12-8-5-9-13-21)24(15-19(18)2,23(26)27-3)17-25-16-20-10-6-4-7-11-20/h4-13,22,25H,14-17H2,1-3H3/t22-,24-/m0/s1