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

Systemtic Name: 2-[4-(9-methoxy-3-oxidanylidene-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(9-methoxy-3-oxo-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(9-methoxy-3-oxo-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(9-methoxy-3-oxo-4-propoxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(3-keto-9-methoxy-4-propoxy-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5/c1-3-12-30-23-18-7-5-4-6-17(18)22(29-2)19-14-25(24(28)21(19)23)16-10-8-15(9-11-16)13-20(26)27/h4-11H,3,12-14H2,1-2H3,(H,26,27)