(4-tert-butyl-2,6-dimethyl-phenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C)C(C)(C)C

InChI

InChI=1S/C25H28N2O3/c1-15-11-18(25(3,4)5)12-16(2)20(15)14-30-24(29)17-8-9-19-21(13-17)26-22-7-6-10-27(22)23(19)28/h8-9,11-13H,6-7,10,14H2,1-5H3