5-[methyl(phenethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile

Systemtic Name: 5-[methyl(phenethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 2-isopropyl-5-[methyl(phenethyl)amino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 5-[methyl(phenethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 5-[methyl(phenethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 2-isopropyl-5-[methyl(phenethyl)amino]-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-17-23(29-4)25(31-6)24(18-22)30-5)14-10-15-28(3)16-13-21-11-8-7-9-12-21/h7-9,11-12,17-18,20H,10,13-16H2,1-6H3