methyl (2S)-1-(2-benzamido-4-cyano-butanoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-benzamido-4-cyano-butanoyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(2-benzamido-4-cyano-butanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-benzamido-4-cyano-1-oxobutyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-benzamido-4-cyanobutanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-benzamido-4-cyano-butanoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(CCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C(CCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-25-18(24)15-10-6-12-21(15)17(23)14(9-5-11-19)20-16(22)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-10,12H2,1H3,(H,20,22)/t14?,15-/m0/s1