tert-butyl N-[3-[5-chloranyl-2-(3-cyclopentyloxy-4-methoxy-phenyl)-1,3-benzoxazol-7-yl]prop-2-ynyl]-N-oxidanyl-carbamate

Systemtic Name: tert-butyl N-[3-[5-chloranyl-2-(3-cyclopentyloxy-4-methoxy-phenyl)-1,3-benzoxazol-7-yl]prop-2-ynyl]-N-oxidanyl-carbamate Openeye Name: tert-butyl N-[3-[5-chloro-2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1,3-benzoxazol-7-yl]prop-2-ynyl]-N-hydroxy-carbamate CAS Name: N-[3-[5-chloro-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-benzoxazol-7-yl]prop-2-ynyl]-N-hydroxycarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[5-chloro-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-benzoxazol-7-yl]prop-2-ynyl]-N-hydroxycarbamate Traditional Name: N-[3-[5-chloro-2-[3-(cyclopentoxy)-4-methoxy-phenyl]-1,3-benzoxazol-7-yl]prop-2-ynyl]-N-hydroxy-carbamic acid tert-butyl ester Formula: C27H29ClN2O6 MolecularWeight: 512.98196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC#CC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OC)OC4CCCC4)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC#CC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OC)OC4CCCC4)Cl)O

InChI

InChI=1S/C27H29ClN2O6/c1-27(2,3)36-26(31)30(32)13-7-8-17-14-19(28)16-21-24(17)35-25(29-21)18-11-12-22(33-4)23(15-18)34-20-9-5-6-10-20/h11-12,14-16,20,32H,5-6,9-10,13H2,1-4H3