dimethyl 2-[2-cyano-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[2-cyano-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]propanedioate Openeye Name: dimethyl 2-[2-cyano-1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]propanedioate CAS Name: 2-[2-cyano-1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-cyano-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]propanedioate Traditional Name: 2-[2-cyano-1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]malonic acid dimethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCN(C(C1)C#N)CCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C(C1CCN(C(C1)C#N)CCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H25N3O4/c1-27-20(25)19(21(26)28-2)14-7-9-24(16(11-14)12-22)10-8-15-13-23-18-6-4-3-5-17(15)18/h3-6,13-14,16,19,23H,7-11H2,1-2H3