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

Systemtic Name: 3-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-3-(4-cyclohexyloxy-3-methoxy-phenyl)propanenitrile Openeye Name: 3-[4-(cyclohexoxy)-3-methoxy-phenyl]-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanenitrile CAS Name: 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1,3-dioxo-2-benzo[f]isoindolyl)propanenitrile IUPAC Name: 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanenitrile Traditional Name: 3-[4-(cyclohexoxy)-3-methoxy-phenyl]-3-(1,3-diketobenz[f]isoindol-2-yl)propionitrile Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)OC5CCCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)OC5CCCCC5

InChI

InChI=1S/C28H26N2O4/c1-33-26-17-20(11-12-25(26)34-21-9-3-2-4-10-21)24(13-14-29)30-27(31)22-15-18-7-5-6-8-19(18)16-23(22)28(30)32/h5-8,11-12,15-17,21,24H,2-4,9-10,13H2,1H3