tert-butyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN=C(C(=[N+]1[O-])OC)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1=CN=C(C(=[N+]1[O-])OC)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29N3O4/c1-15(2)11-17-13-24-19(21(29-6)26(17)28)12-16-14-25(22(27)30-23(3,4)5)20-10-8-7-9-18(16)20/h7-10,13-15H,11-12H2,1-6H3