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

Systemtic Name: tert-butyl 3-[[5-(2-methylpropyl)-4-oxidanyl-3-oxidanylidene-6-phenylmethoxy-pyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(6-benzyloxy-4-hydroxy-5-isobutyl-3-oxo-pyrazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[[4-hydroxy-5-(2-methylpropyl)-3-oxo-6-phenylmethoxy-2-pyrazinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-hydroxy-5-(2-methylpropyl)-3-oxo-6-phenylmethoxypyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[(6-benzoxy-4-hydroxy-5-isobutyl-3-keto-pyrazin-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(C(=O)N1O)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(N=C(C(=O)N1O)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O5/c1-19(2)15-25-26(36-18-20-11-7-6-8-12-20)30-23(27(33)32(25)35)16-21-17-31(28(34)37-29(3,4)5)24-14-10-9-13-22(21)24/h6-14,17,19,35H,15-16,18H2,1-5H3