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

Systemtic Name: 3-(4-cyclohexyloxy-3-ethoxy-phenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid Openeye Name: 3-[4-(cyclohexoxy)-3-ethoxy-phenyl]-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid CAS Name: 3-(4-cyclohexyloxy-3-ethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid IUPAC Name: 3-(4-cyclohexyloxy-3-ethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid Traditional Name: 3-[4-(cyclohexoxy)-3-ethoxy-phenyl]-3-(3-keto-1H-benz[f]isoindol-2-yl)propionic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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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)OC5CCCCC5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC5CCCCC5

InChI

InChI=1S/C29H31NO5/c1-2-34-27-16-21(12-13-26(27)35-23-10-4-3-5-11-23)25(17-28(31)32)30-18-22-14-19-8-6-7-9-20(19)15-24(22)29(30)33/h6-9,12-16,23,25H,2-5,10-11,17-18H2,1H3,(H,31,32)