[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C22H25N3O3/c1-15-11-19(16(2)25(15)12-17-7-5-4-6-8-17)21(27)28-13-20(26)24-22(3,14-23)18-9-10-18/h4-8,11,18H,9-10,12-13H2,1-3H3,(H,24,26)/t22-/m1/s1