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

Systemtic Name: tert-butyl 3-[2-[3-azanylidene-5-(2-methylpropyl)-4-oxidanyl-6-phenylmethoxy-pyrazin-2-yl]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(6-benzyloxy-4-hydroxy-3-imino-5-isobutyl-pyrazin-2-yl)ethyl]indole-1-carboxylate CAS Name: 3-[2-[4-hydroxy-3-imino-5-(2-methylpropyl)-6-phenylmethoxy-2-pyrazinyl]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[4-hydroxy-3-imino-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]ethyl]indole-1-carboxylate Traditional Name: 3-[2-(6-benzoxy-4-hydroxy-3-imino-5-isobutyl-pyrazin-2-yl)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(C(=N)N1O)CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(N=C(C(=N)N1O)CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C30H36N4O4/c1-20(2)17-26-28(37-19-21-11-7-6-8-12-21)32-24(27(31)34(26)36)16-15-22-18-33(29(35)38-30(3,4)5)25-14-10-9-13-23(22)25/h6-14,18,20,31,36H,15-17,19H2,1-5H3