(3E)-3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

Systemtic Name: (3E)-3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid Openeye Name: (3E)-3-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid CAS Name: (3E)-3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid IUPAC Name: (3E)-3-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid Traditional Name: (3E)-3-(4-isoamoxy-3-methoxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)O)OC

InChI

InChI=1S/C25H26N2O5/c1-15(2)9-11-32-21-7-4-16(13-22(21)31-3)12-17-8-10-27-23(17)26-20-14-18(25(29)30)5-6-19(20)24(27)28/h4-7,12-15H,8-11H2,1-3H3,(H,29,30)/b17-12+