tert-butyl 2-chloranyl-3-[1-ethoxy-3-(hexanoylamino)-1,3-bis(oxidanylidene)propan-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-3-[1-ethoxy-3-(hexanoylamino)-1,3-bis(oxidanylidene)propan-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 2-chloro-3-[1-ethoxycarbonyl-2-(hexanoylamino)-2-oxo-ethyl]indole-1-carboxylate CAS Name: 2-chloro-3-[1-ethoxy-1,3-dioxo-3-(1-oxohexylamino)propan-2-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-3-[1-ethoxy-3-(hexanoylamino)-1,3-dioxopropan-2-yl]indole-1-carboxylate Traditional Name: 3-[1-(caproylcarbamoyl)-2-ethoxy-2-keto-ethyl]-2-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C24H31ClN2O6 MolecularWeight: 478.96574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=O)C(C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC(=O)C(C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl)C(=O)OCC

InChI

InChI=1S/C24H31ClN2O6/c1-6-8-9-14-17(28)26-21(29)19(22(30)32-7-2)18-15-12-10-11-13-16(15)27(20(18)25)23(31)33-24(3,4)5/h10-13,19H,6-9,14H2,1-5H3,(H,26,28,29)