2-ethyl-5-[3-(3-methoxyphenoxy)propyl-methyl-amino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile

Systemtic Name: 2-ethyl-5-[3-(3-methoxyphenoxy)propyl-methyl-amino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 2-ethyl-5-[3-(3-methoxyphenoxy)propyl-methyl-amino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 2-ethyl-5-[3-(3-methoxyphenoxy)propyl-methylamino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 2-ethyl-5-[3-(3-methoxyphenoxy)propyl-methylamino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 2-ethyl-5-[3-(3-methoxyphenoxy)propyl-methyl-amino]-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN(C)CCCOC1=CC=CC(=C1)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(CCCN(C)CCCOC1=CC=CC(=C1)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C27H38N2O5/c1-7-27(20-28,21-17-24(31-4)26(33-6)25(18-21)32-5)13-9-14-29(2)15-10-16-34-23-12-8-11-22(19-23)30-3/h8,11-12,17-19H,7,9-10,13-16H2,1-6H3