O1-tert-butyl O4-phenyl (3aS,7aR)-2-azanyl-5,7a-dihydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-phenyl (3aS,7aR)-2-azanyl-5,7a-dihydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-phenyl (3aS,7aR)-2-amino-5,7a-dihydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate CAS Name: (3aS,7aR)-2-amino-5,7a-dihydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylic acid O1-tert-butyl ester O4-phenyl ester IUPAC Name: 1-O-tert-butyl 4-O-phenyl (3aS,7aR)-2-amino-5,7a-dihydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate Traditional Name: (3aS,7aR)-2-amino-5,7a-dihydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylic acid O1-tert-butyl ester O4-phenyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2C=CCN(C2N=C1N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2C=CCN([C@@H]2N=C1N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4/c1-18(2,3)26-17(24)22-13-10-7-11-21(14(13)20-15(22)19)16(23)25-12-8-5-4-6-9-12/h4-10,13-14H,11H2,1-3H3,(H2,19,20)/t13-,14+/m1/s1