5-[2-(1-acetamidoethyl)pentyl]-4-cyano-1-(phenylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-[2-(1-acetamidoethyl)pentyl]-4-cyano-1-(phenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-[2-(1-acetamidoethyl)pentyl]-1-benzyl-4-cyano-pyrrolidine-2-carboxylic acid CAS Name: 5-[2-(1-acetamidoethyl)pentyl]-4-cyano-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-[2-(1-acetamidoethyl)pentyl]-1-benzyl-4-cyanopyrrolidine-2-carboxylic acid Traditional Name: 5-[2-(1-acetamidoethyl)pentyl]-1-benzyl-4-cyano-proline Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1C(CC(N1CC2=CC=CC=C2)C(=O)O)C#N)C(C)NC(=O)C

Isomeric SMILES

CCCC(CC1C(CC(N1CC2=CC=CC=C2)C(=O)O)C#N)C(C)NC(=O)C

InChI

InChI=1S/C22H31N3O3/c1-4-8-18(15(2)24-16(3)26)11-20-19(13-23)12-21(22(27)28)25(20)14-17-9-6-5-7-10-17/h5-7,9-10,15,18-21H,4,8,11-12,14H2,1-3H3,(H,24,26)(H,27,28)