2-[4-(4,9-diethoxy-1-methyl-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4,9-diethoxy-1-methyl-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-1-methyl-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-1-methyl-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-1-methyl-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-3-keto-1-methyl-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C25H25NO5 MolecularWeight: 419.4697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(N(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)O)C

Isomeric SMILES

CCOC1=C2C(N(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)O)C

InChI

InChI=1S/C25H25NO5/c1-4-30-23-18-8-6-7-9-19(18)24(31-5-2)22-21(23)15(3)26(25(22)29)17-12-10-16(11-13-17)14-20(27)28/h6-13,15H,4-5,14H2,1-3H3,(H,27,28)