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

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(4-hydroxy-3-methoxy-phenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-5-[homovanillyl(methyl)amino]-2-isopropyl-valeronitrile Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](CCCN(C)CCC1=CC(=C(C=C1)O)OC)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28(3)15-12-20-8-10-22(29)24(16-20)31-5/h8-11,16-17,19,29H,7,12-15H2,1-6H3/t26-/m0/s1