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

Systemtic Name: tert-butyl 3-[3-ethoxy-2-(hexanoylamino)-3-oxidanylidene-propanoyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[3-ethoxy-2-(hexanoylamino)-3-oxo-propanoyl]indole-1-carboxylate CAS Name: 3-[3-ethoxy-1,3-dioxo-2-(1-oxohexylamino)propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-ethoxy-2-(hexanoylamino)-3-oxopropanoyl]indole-1-carboxylate Traditional Name: 3-[2-(caproylamino)-3-ethoxy-3-keto-propanoyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O6/c1-6-8-9-14-19(27)25-20(22(29)31-7-2)21(28)17-15-26(23(30)32-24(3,4)5)18-13-11-10-12-16(17)18/h10-13,15,20H,6-9,14H2,1-5H3,(H,25,27)