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

Systemtic Name: tert-butyl 6-chloranyl-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 6-chloro-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylate CAS Name: 6-chloro-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-chloro-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 6-chloro-3-[[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H34ClN3O4 MolecularWeight: 476.00816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1CC2=CN(C3=C2C=CC(=C3)Cl)C(=O)OC(C)(C)C)OCC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O4/c1-8-31-22-19(27-23(32-9-2)21(28-22)15(3)4)12-16-14-29(24(30)33-25(5,6)7)20-13-17(26)10-11-18(16)20/h10-11,13-15,19,21H,8-9,12H2,1-7H3/t19-,21+/m0/s1