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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)C(=O)NC2=C(N(N=C2C(=O)N)C3CN(C3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)C(=O)NC2=C(N(N=C2C(=O)N)C3CN(C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C27H37N5O6/c1-7-9-12-37-21-11-10-17(16(3)33)13-19(21)25(35)29-22-20(8-2)32(30-23(22)24(28)34)18-14-31(15-18)26(36)38-27(4,5)6/h10-11,13,18H,7-9,12,14-15H2,1-6H3,(H2,28,34)(H,29,35)