3-(4-cyclopentyloxy-3-ethoxy-phenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid

Systemtic Name: 3-(4-cyclopentyloxy-3-ethoxy-phenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid Openeye Name: 3-[4-(cyclopentoxy)-3-ethoxy-phenyl]-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid CAS Name: 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid IUPAC Name: 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid Traditional Name: 3-[4-(cyclopentoxy)-3-ethoxy-phenyl]-3-(3-keto-1H-benz[f]isoindol-2-yl)propionic acid Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC5CCCC5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC5CCCC5

InChI

InChI=1S/C28H29NO5/c1-2-33-26-15-20(11-12-25(26)34-22-9-5-6-10-22)24(16-27(30)31)29-17-21-13-18-7-3-4-8-19(18)14-23(21)28(29)32/h3-4,7-8,11-15,22,24H,2,5-6,9-10,16-17H2,1H3,(H,30,31)