diethyl 2-acetamido-2-(5-indol-1-yl-5-oxidanylidene-pentyl)propanedioate

Systemtic Name: diethyl 2-acetamido-2-(5-indol-1-yl-5-oxidanylidene-pentyl)propanedioate Openeye Name: diethyl 2-acetamido-2-(5-indol-1-yl-5-oxo-pentyl)propanedioate CAS Name: 2-acetamido-2-[5-(1-indolyl)-5-oxopentyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-(5-indol-1-yl-5-oxopentyl)propanedioate Traditional Name: 2-acetamido-2-(5-indol-1-yl-5-keto-pentyl)malonic acid diethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC(=O)N1C=CC2=CC=CC=C21)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCC(=O)N1C=CC2=CC=CC=C21)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H28N2O6/c1-4-29-20(27)22(23-16(3)25,21(28)30-5-2)14-9-8-12-19(26)24-15-13-17-10-6-7-11-18(17)24/h6-7,10-11,13,15H,4-5,8-9,12,14H2,1-3H3,(H,23,25)