tert-butyl 3-[[2-azanyl-3-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]carbonylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-azanyl-3-[(5-chloranylpyridin-2-yl)carbamoyl]phenyl]carbonylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-amino-3-[(5-chloro-2-pyridyl)carbamoyl]benzoyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[[2-amino-3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-amino-3-[(5-chloropyridin-2-yl)carbamoyl]benzoyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[2-amino-3-[(5-chloro-2-pyridyl)carbamoyl]benzoyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN5O4 MolecularWeight: 459.92594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC(=O)C2=CC=CC(=C2N)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)NC(=O)C2=CC=CC(=C2N)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN5O4/c1-22(2,3)32-21(31)28-10-9-14(12-28)26-19(29)15-5-4-6-16(18(15)24)20(30)27-17-8-7-13(23)11-25-17/h4-8,11,14H,9-10,12,24H2,1-3H3,(H,26,29)(H,25,27,30)