ditert-butyl (3S,5S,7R,7aS)-3-phenyl-1-(phenylmethyl)-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate

Systemtic Name: ditert-butyl (3S,5S,7R,7aS)-3-phenyl-1-(phenylmethyl)-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate Openeye Name: ditert-butyl (3S,5S,7R,7aS)-1-benzyl-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate CAS Name: (3S,5S,7R,7aS)-3-phenyl-1-(phenylmethyl)-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (3S,5S,7R,7aS)-1-benzyl-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate Traditional Name: (3S,5S,7R,7aS)-1-benzyl-3-phenyl-2,3,5,6,7,7a-hexahydropyrrol[1,2-a]imidazole-5,7-dicarboxylic acid ditert-butyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(N2C1N(CC2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@H](N2[C@@H]1N(C[C@@H]2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H38N2O4/c1-28(2,3)34-26(32)22-17-23(27(33)35-29(4,5)6)31-24(21-15-11-8-12-16-21)19-30(25(22)31)18-20-13-9-7-10-14-20/h7-16,22-25H,17-19H2,1-6H3/t22-,23+,24-,25+/m1/s1