2-[4-(3-oxidanylidene-9-propan-2-yloxy-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-oxidanylidene-9-propan-2-yloxy-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(9-isopropoxy-3-oxo-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(3-oxo-9-propan-2-yloxy-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(3-oxo-9-propan-2-yloxy-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(9-isopropoxy-3-keto-4-propoxy-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=C(C3=CC=CC=C31)OC(C)C)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCOC1=C2C(=C(C3=CC=CC=C31)OC(C)C)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C26H27NO5/c1-4-13-31-25-20-8-6-5-7-19(20)24(32-16(2)3)21-15-27(26(30)23(21)25)18-11-9-17(10-12-18)14-22(28)29/h5-12,16H,4,13-15H2,1-3H3,(H,28,29)