3-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-3-(4-cyclohexyloxy-3-ethoxy-phenyl)propanenitrile

Systemtic Name: 3-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-3-(4-cyclohexyloxy-3-ethoxy-phenyl)propanenitrile Openeye Name: 3-[4-(cyclohexoxy)-3-ethoxy-phenyl]-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanenitrile CAS Name: 3-(4-cyclohexyloxy-3-ethoxyphenyl)-3-(1,3-dioxo-2-benzo[f]isoindolyl)propanenitrile IUPAC Name: 3-(4-cyclohexyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanenitrile Traditional Name: 3-[4-(cyclohexoxy)-3-ethoxy-phenyl]-3-(1,3-diketobenz[f]isoindol-2-yl)propionitrile Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)OC5CCCCC5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)OC5CCCCC5

InChI

InChI=1S/C29H28N2O4/c1-2-34-27-18-21(12-13-26(27)35-22-10-4-3-5-11-22)25(14-15-30)31-28(32)23-16-19-8-6-7-9-20(19)17-24(23)29(31)33/h6-9,12-13,16-18,22,25H,2-5,10-11,14H2,1H3