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

Systemtic Name: 2-[4-(3-oxidanylidene-4,9-dipropyl-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(3-oxo-4,9-dipropyl-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(3-oxo-4,9-dipropyl-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(3-oxo-4,9-dipropyl-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(3-keto-4,9-dipropyl-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)CCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)CCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C26H27NO3/c1-3-7-19-20-9-5-6-10-21(20)22(8-4-2)25-23(19)16-27(26(25)30)18-13-11-17(12-14-18)15-24(28)29/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,28,29)