tert-butyl 2-cyano-5-(2-oxidanylidenespiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(2-oxidanylidenespiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(2-oxospiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(2-oxo-7-spiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(2-oxospiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2-ketospiro[1H-4,1-benzoxazepine-5,1'-cyclohexane]-7-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC34CCCCC4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC=C1C2=CC3=C(C=C2)NC(=O)COC34CCCCC4)C#N

InChI

InChI=1S/C24H27N3O4/c1-23(2,3)31-22(29)27-17(14-25)8-10-20(27)16-7-9-19-18(13-16)24(11-5-4-6-12-24)30-15-21(28)26-19/h7-10,13H,4-6,11-12,15H2,1-3H3,(H,26,28)