(phenylmethyl) 2-[(5-cyanoindol-1-yl)methyl]pyrrolidine-3-carboxylate

Systemtic Name: (phenylmethyl) 2-[(5-cyanoindol-1-yl)methyl]pyrrolidine-3-carboxylate Openeye Name: benzyl 2-[(5-cyanoindol-1-yl)methyl]pyrrolidine-3-carboxylate CAS Name: 2-[(5-cyano-1-indolyl)methyl]-3-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-cyanoindol-1-yl)methyl]pyrrolidine-3-carboxylate Traditional Name: 2-[(5-cyanoindol-1-yl)methyl]pyrrolidine-3-carboxylic acid benzyl ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C1C(=O)OCC2=CC=CC=C2)CN3C=CC4=C3C=CC(=C4)C#N

Isomeric SMILES

C1CNC(C1C(=O)OCC2=CC=CC=C2)CN3C=CC4=C3C=CC(=C4)C#N

InChI

InChI=1S/C22H21N3O2/c23-13-17-6-7-21-18(12-17)9-11-25(21)14-20-19(8-10-24-20)22(26)27-15-16-4-2-1-3-5-16/h1-7,9,11-12,19-20,24H,8,10,14-15H2