(phenylmethyl) (4S,5S)-2-(cyclohexylamino)-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate

Systemtic Name: (phenylmethyl) (4S,5S)-2-(cyclohexylamino)-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate Openeye Name: benzyl (4S,5S)-2-(cyclohexylamino)-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate CAS Name: (4S,5S)-2-(cyclohexylamino)-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,5S)-2-(cyclohexylamino)-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate Traditional Name: (4S,5S)-2-(cyclohexylamino)-4,5-diphenyl-2-imidazoline-1-carboxylic acid benzyl ester Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(C(N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=N[C@H]([C@@H](N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c33-29(34-21-22-13-5-1-6-14-22)32-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)31-28(32)30-25-19-11-4-12-20-25/h1-3,5-10,13-18,25-27H,4,11-12,19-21H2,(H,30,31)/t26-,27-/m0/s1