2-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)pent-4-ynenitrile

Systemtic Name: 2-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)pent-4-ynenitrile Openeye Name: 2-morpholino-2-(3,4,5-trimethoxyphenyl)pent-4-ynenitrile CAS Name: 2-(4-morpholinyl)-2-(3,4,5-trimethoxyphenyl)-4-pentynenitrile IUPAC Name: 2-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)pent-4-ynenitrile Traditional Name: 2-morpholino-2-(3,4,5-trimethoxyphenyl)pent-4-ynenitrile Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC#C)(C#N)N2CCOCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CC#C)(C#N)N2CCOCC2

InChI

InChI=1S/C18H22N2O4/c1-5-6-18(13-19,20-7-9-24-10-8-20)14-11-15(21-2)17(23-4)16(12-14)22-3/h1,11-12H,6-10H2,2-4H3