tert-butyl N-[3-[7-oxidanylidene-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)hept-1-ynyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[7-oxidanylidene-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)hept-1-ynyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[7-oxo-7-[5-(2-pyridyl)oxazol-2-yl]hept-1-ynyl]phenyl]carbamate CAS Name: N-[3-[7-oxo-7-[5-(2-pyridinyl)-2-oxazolyl]hept-1-ynyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[7-oxo-7-(5-pyridin-2-yl-1,3-oxazol-2-yl)hept-1-ynyl]phenyl]carbamate Traditional Name: N-[3-[7-keto-7-[5-(2-pyridyl)oxazol-2-yl]hept-1-ynyl]phenyl]carbamic acid tert-butyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C#CCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C#CCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3

InChI

InChI=1S/C26H27N3O4/c1-26(2,3)33-25(31)29-20-13-10-12-19(17-20)11-6-4-5-7-15-22(30)24-28-18-23(32-24)21-14-8-9-16-27-21/h8-10,12-14,16-18H,4-5,7,15H2,1-3H3,(H,29,31)