methyl (1R,6S)-1-[[2-azanylethanoyl-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,6S)-1-[[2-azanylethanoyl-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,6S)-1-[[(2-aminoacetyl)-benzyl-amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-1-[[(2-amino-1-oxoethyl)-(phenylmethyl)amino]methyl]-3,4-dimethyl-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,6S)-1-[[(2-aminoacetyl)-benzylamino]methyl]-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-1-[[benzyl(glycyl)amino]methyl]-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(CN(CC3=CC=CC=C3)C(=O)CN)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(CN(CC3=CC=CC=C3)C(=O)CN)C(=O)OC)C

InChI

InChI=1S/C26H32N2O3/c1-19-14-23(22-12-8-5-9-13-22)26(15-20(19)2,25(30)31-3)18-28(24(29)16-27)17-21-10-6-4-7-11-21/h4-13,23H,14-18,27H2,1-3H3/t23-,26-/m0/s1