2-(3,4-dimethoxyphenyl)-5-[2-[3-(hydroxymethyl)-4-methoxy-phenyl]ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[2-[3-(hydroxymethyl)-4-methoxy-phenyl]ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[2-[3-(hydroxymethyl)-4-methoxy-phenyl]ethyl-methyl-amino]-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[2-[3-(hydroxymethyl)-4-methoxyphenyl]ethyl-methylamino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-[3-(hydroxymethyl)-4-methoxyphenyl]ethyl-methylamino]-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[2-(4-methoxy-3-methylol-phenyl)ethyl-methyl-amino]valeronitrile Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)CO)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)CO)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H38N2O4/c1-20(2)27(19-28,23-9-11-25(32-5)26(17-23)33-6)13-7-14-29(3)15-12-21-8-10-24(31-4)22(16-21)18-30/h8-11,16-17,20,30H,7,12-15,18H2,1-6H3