tert-butyl 3-[3-aminocarbonyl-4-[[5-ethanoyl-2-(2-methylpropoxy)phenyl]carbonylamino]-5-ethyl-pyrazol-1-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-aminocarbonyl-4-[[5-ethanoyl-2-(2-methylpropoxy)phenyl]carbonylamino]-5-ethyl-pyrazol-1-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[(5-acetyl-2-isobutoxy-benzoyl)amino]-3-carbamoyl-5-ethyl-pyrazol-1-yl]azetidine-1-carboxylate CAS Name: 3-[4-[[[5-acetyl-2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-carbamoyl-5-ethyl-1-pyrazolyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[[5-acetyl-2-(2-methylpropoxy)benzoyl]amino]-3-carbamoyl-5-ethylpyrazol-1-yl]azetidine-1-carboxylate Traditional Name: 3-[4-[(5-acetyl-2-isobutoxy-benzoyl)amino]-3-carbamoyl-5-ethyl-pyrazol-1-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C27H37N5O6 MolecularWeight: 527.61258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CN(C2)C(=O)OC(C)(C)C)C(=O)N)NC(=O)C3=C(C=CC(=C3)C(=O)C)OCC(C)C

Isomeric SMILES

CCC1=C(C(=NN1C2CN(C2)C(=O)OC(C)(C)C)C(=O)N)NC(=O)C3=C(C=CC(=C3)C(=O)C)OCC(C)C

InChI

InChI=1S/C27H37N5O6/c1-8-20-22(29-25(35)19-11-17(16(4)33)9-10-21(19)37-14-15(2)3)23(24(28)34)30-32(20)18-12-31(13-18)26(36)38-27(5,6)7/h9-11,15,18H,8,12-14H2,1-7H3,(H2,28,34)(H,29,35)