5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-hydroxy-3-methoxy-phenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(homoveratrylamino)-2-(4-hydroxy-3-methoxy-phenyl)-2-isopropyl-valeronitrile Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)23(16-20)30-4)12-6-13-27-14-11-19-7-10-22(29-3)24(15-19)31-5/h7-10,15-16,18,27-28H,6,11-14H2,1-5H3