3-[1-(2,3-dimethoxyphenyl)ethyl]-2-[(phenylmethyl)amino]-2-propan-2-yl-undecanenitrile

Systemtic Name: 3-[1-(2,3-dimethoxyphenyl)ethyl]-2-[(phenylmethyl)amino]-2-propan-2-yl-undecanenitrile Openeye Name: 2-(benzylamino)-3-[1-(2,3-dimethoxyphenyl)ethyl]-2-isopropyl-undecanenitrile CAS Name: 3-[1-(2,3-dimethoxyphenyl)ethyl]-2-[(phenylmethyl)amino]-2-propan-2-ylundecanenitrile IUPAC Name: 2-(benzylamino)-3-[1-(2,3-dimethoxyphenyl)ethyl]-2-propan-2-ylundecanenitrile Traditional Name: 2-(benzylamino)-3-[1-(2,3-dimethoxyphenyl)ethyl]-2-isopropyl-undecanenitrile Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)C1=C(C(=CC=C1)OC)OC)C(C#N)(C(C)C)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C(C)C1=C(C(=CC=C1)OC)OC)C(C#N)(C(C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C31H46N2O2/c1-7-8-9-10-11-15-20-28(25(4)27-19-16-21-29(34-5)30(27)35-6)31(23-32,24(2)3)33-22-26-17-13-12-14-18-26/h12-14,16-19,21,24-25,28,33H,7-11,15,20,22H2,1-6H3