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

Systemtic Name: 5-[3-(2-azanylphenoxy)propyl-methyl-amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 5-[3-(2-aminophenoxy)propyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 5-[3-(2-aminophenoxy)propyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 5-[3-(2-aminophenoxy)propyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 5-[3-(2-aminophenoxy)propyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCCOC1=CC=CC=C1N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCCOC1=CC=CC=C1N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C27H39N3O4/c1-20(2)27(19-28,21-17-24(31-4)26(33-6)25(18-21)32-5)13-9-14-30(3)15-10-16-34-23-12-8-7-11-22(23)29/h7-8,11-12,17-18,20H,9-10,13-16,29H2,1-6H3