tert-butyl 4-[(5S)-5-[bis(phenylmethyl)amino]oxan-2-yl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[(5S)-5-[bis(phenylmethyl)amino]oxan-2-yl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[(5S)-5-(dibenzylamino)tetrahydropyran-2-yl]imidazole-1-carboxylate CAS Name: 4-[(5S)-5-[bis(phenylmethyl)amino]-2-oxanyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5S)-5-(dibenzylamino)oxan-2-yl]imidazole-1-carboxylate Traditional Name: 4-[(5S)-5-(dibenzylamino)tetrahydropyran-2-yl]imidazole-1-carboxylic acid tert-butyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)C2CCC(CO2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)C2CC[C@@H](CO2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-27(2,3)33-26(31)30-18-24(28-20-30)25-15-14-23(19-32-25)29(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-13,18,20,23,25H,14-17,19H2,1-3H3/t23-,25?/m0/s1