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

Systemtic Name: 2-[4-(4-hexoxy-3-oxidanylidene-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-hexoxy-9-isopropoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4-hexoxy-3-oxo-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4-hexoxy-3-oxo-9-propan-2-yloxy-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-hexoxy-9-isopropoxy-3-keto-1H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C(=C(C3=CC=CC=C31)OC(C)C)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCCCCOC1=C2C(=C(C3=CC=CC=C31)OC(C)C)CN(C2=O)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C29H33NO5/c1-4-5-6-9-16-34-28-23-11-8-7-10-22(23)27(35-19(2)3)24-18-30(29(33)26(24)28)21-14-12-20(13-15-21)17-25(31)32/h7-8,10-15,19H,4-6,9,16-18H2,1-3H3,(H,31,32)