tert-butyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(6-benzyloxy-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-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)OC)[O-]

InChI

InChI=1S/C30H35N3O5/c1-20(2)16-26-27(37-19-21-12-8-7-9-13-21)31-24(28(36-6)33(26)35)17-22-18-32(29(34)38-30(3,4)5)25-15-11-10-14-23(22)25/h7-15,18,20H,16-17,19H2,1-6H3