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

Systemtic Name: tert-butyl 2-bromanyl-3-[[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 2-bromo-3-[[(5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylate CAS Name: 2-bromo-3-[[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-bromo-3-[[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 2-bromo-3-[[(5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H34BrN3O4 MolecularWeight: 520.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1CC2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)Br)OCC)C(C)C

Isomeric SMILES

CCOC1=NC(C(=N[C@@H]1C(C)C)OCC)CC2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C25H34BrN3O4/c1-8-31-22-18(27-23(32-9-2)20(28-22)15(3)4)14-17-16-12-10-11-13-19(16)29(21(17)26)24(30)33-25(5,6)7/h10-13,15,18,20H,8-9,14H2,1-7H3/t18?,20-/m1/s1