tert-butyl (2S,5R)-2-tert-butyl-6-methoxy-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylate

Systemtic Name: tert-butyl (2S,5R)-2-tert-butyl-6-methoxy-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylate Openeye Name: tert-butyl (2S,5R)-5-benzyl-2-tert-butyl-6-methoxy-4,5-dihydro-2H-pyrimidine-3-carboxylate CAS Name: (2S,5R)-2-tert-butyl-6-methoxy-5-(phenylmethyl)-4,5-dihydro-2H-pyrimidine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-5-benzyl-2-tert-butyl-6-methoxy-4,5-dihydro-2H-pyrimidine-3-carboxylate Traditional Name: (2S,5R)-5-benzyl-2-tert-butyl-6-methoxy-4,5-dihydro-2H-pyrimidine-3-carboxylic acid tert-butyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N=C(C(CN1C(=O)OC(C)(C)C)CC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)[C@H]1N=C([C@@H](CN1C(=O)OC(C)(C)C)CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H32N2O3/c1-20(2,3)18-22-17(25-7)16(13-15-11-9-8-10-12-15)14-23(18)19(24)26-21(4,5)6/h8-12,16,18H,13-14H2,1-7H3/t16-,18+/m1/s1