tert-butyl 2-bromanyl-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 2-bromanyl-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole-1-carboxylate Openeye Name: tert-butyl 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole-1-carboxylate CAS Name: 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxyindole-1-carboxylate Traditional Name: 2-bromo-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C26H36BrN3O5 MolecularWeight: 550.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)OC(C)(C)C)Br)OCC)C(C)C

Isomeric SMILES

CCOC1=N[C@@H](C(=N[C@H]1CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)OC(C)(C)C)Br)OCC)C(C)C

InChI

InChI=1S/C26H36BrN3O5/c1-9-33-23-19(28-24(34-10-2)21(29-23)15(3)4)14-18-17-13-16(32-8)11-12-20(17)30(22(18)27)25(31)35-26(5,6)7/h11-13,15,19,21H,9-10,14H2,1-8H3/t19-,21+/m0/s1