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

Systemtic Name: 2-[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]-2-methoxy-ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-2-methoxy-acetic acid CAS Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-2-methoxyacetic acid IUPAC Name: 2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-2-methoxyacetic acid Traditional Name: 2-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)phenyl]-2-methoxy-acetic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)C(C(=O)O)OC

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)C(C(=O)O)OC

InChI

InChI=1S/C25H25NO6/c1-4-31-22-17-8-6-7-9-18(17)23(32-5-2)20-19(22)14-26(24(20)27)16-12-10-15(11-13-16)21(30-3)25(28)29/h6-13,21H,4-5,14H2,1-3H3,(H,28,29)