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

Systemtic Name: 2-[4-(4,9-diethoxy-3,3-dimethyl-1-oxidanylidene-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-3,3-dimethyl-1-oxo-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-3,3-dimethyl-1-oxo-2-benzo[f]isoindolyl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-3,3-dimethyl-1-oxobenzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-1-keto-3,3-dimethyl-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5/c1-5-31-23-18-9-7-8-10-19(18)24(32-6-2)22-21(23)25(30)27(26(22,3)4)17-13-11-16(12-14-17)15-20(28)29/h7-14H,5-6,15H2,1-4H3,(H,28,29)