4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H28N2O6/c1-31-23-15-18(17-27)4-6-21(23)32-12-2-3-25(29)28-10-8-19(9-11-28)26(30)20-5-7-22-24(16-20)34-14-13-33-22/h4-7,15-16,19H,2-3,8-14H2,1H3