tert-butyl 3-[(5,6-dimethyl-4-oxidanyl-3-oxidanylidene-pyrazin-2-yl)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(5,6-dimethyl-4-oxidanyl-3-oxidanylidene-pyrazin-2-yl)methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(4-hydroxy-5,6-dimethyl-3-oxo-pyrazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[(4-hydroxy-5,6-dimethyl-3-oxo-2-pyrazinyl)methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-hydroxy-5,6-dimethyl-3-oxopyrazin-2-yl)methyl]indole-1-carboxylate Traditional Name: 3-[(4-hydroxy-3-keto-5,6-dimethyl-pyrazin-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)C(=N1)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC1=C(N(C(=O)C(=N1)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C20H23N3O4/c1-12-13(2)23(26)18(24)16(21-12)10-14-11-22(19(25)27-20(3,4)5)17-9-7-6-8-15(14)17/h6-9,11,26H,10H2,1-5H3