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

Systemtic Name: tert-butyl 3-[3-azanylidene-5-(2-methylpropyl)-4-oxidanyl-6-phenylmethoxy-pyrazin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-(6-benzyloxy-4-hydroxy-3-imino-5-isobutyl-pyrazin-2-yl)indole-1-carboxylate CAS Name: 3-[4-hydroxy-3-imino-5-(2-methylpropyl)-6-phenylmethoxy-2-pyrazinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-hydroxy-3-imino-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]indole-1-carboxylate Traditional Name: 3-(6-benzoxy-4-hydroxy-3-imino-5-isobutyl-pyrazin-2-yl)indole-1-carboxylic acid tert-butyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(C(=N)N1O)C2=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)C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4/c1-18(2)15-23-26(35-17-19-11-7-6-8-12-19)30-24(25(29)32(23)34)21-16-31(27(33)36-28(3,4)5)22-14-10-9-13-20(21)22/h6-14,16,18,29,34H,15,17H2,1-5H3