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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(3-methoxy-4-phenylmethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(3-methoxy-4-phenylmethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-3-[homoveratryl(methyl)amino]-2-isopropyl-valeronitrile Formula: C33H42N2O4 MolecularWeight: 530.69758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(C)C)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(C#N)(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(C)C)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C33H42N2O4/c1-8-32(35(4)19-18-25-14-16-28(36-5)30(20-25)37-6)33(23-34,24(2)3)27-15-17-29(31(21-27)38-7)39-22-26-12-10-9-11-13-26/h9-17,20-21,24,32H,8,18-19,22H2,1-7H3