[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H17N3O3/c17-8-3-9-18-15(20)11-22-16(21)7-6-12-10-19-14-5-2-1-4-13(12)14/h1-2,4-5,10,19H,3,6-7,9,11H2,(H,18,20)