(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(1H-indol-3-yl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CNC2=CC=CC=C21

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C17H17N3O3/c1-11(19)14(8-18)16(21)10-23-17(22)7-6-12-9-20-15-5-3-2-4-13(12)15/h2-5,9,14,19-20H,6-7,10H2,1H3