tert-butyl 2-chloranyl-3-[3-ethoxy-2-(hexanoylamino)-3-oxidanylidene-propanoyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-3-[3-ethoxy-2-(hexanoylamino)-3-oxidanylidene-propanoyl]indole-1-carboxylate Openeye Name: tert-butyl 2-chloro-3-[3-ethoxy-2-(hexanoylamino)-3-oxo-propanoyl]indole-1-carboxylate CAS Name: 2-chloro-3-[3-ethoxy-1,3-dioxo-2-(1-oxohexylamino)propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-3-[3-ethoxy-2-(hexanoylamino)-3-oxopropanoyl]indole-1-carboxylate Traditional Name: 3-[2-(caproylamino)-3-ethoxy-3-keto-propanoyl]-2-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C24H31ClN2O6 MolecularWeight: 478.96574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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