(phenylmethyl) (2S)-2-[(5-chloranylpyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(5-chloranylpyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(5-chloro-2-pyridyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(5-chloropyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(5-chloro-2-pyridyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3/c19-14-8-9-16(20-11-14)21-17(23)15-7-4-10-22(15)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21,23)/t15-/m0/s1