4-(2,3-dimethoxyphenyl)-5-(1-phenylnonylamino)-2-propan-2-yl-pentanenitrile

Systemtic Name: 4-(2,3-dimethoxyphenyl)-5-(1-phenylnonylamino)-2-propan-2-yl-pentanenitrile Openeye Name: 4-(2,3-dimethoxyphenyl)-2-isopropyl-5-(1-phenylnonylamino)pentanenitrile CAS Name: 4-(2,3-dimethoxyphenyl)-5-(1-phenylnonylamino)-2-propan-2-ylpentanenitrile IUPAC Name: 4-(2,3-dimethoxyphenyl)-5-(1-phenylnonylamino)-2-propan-2-ylpentanenitrile Traditional Name: 4-(2,3-dimethoxyphenyl)-2-isopropyl-5-(1-phenylnonylamino)valeronitrile Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2O2/c1-6-7-8-9-10-14-19-29(25-16-12-11-13-17-25)33-23-27(21-26(22-32)24(2)3)28-18-15-20-30(34-4)31(28)35-5/h11-13,15-18,20,24,26-27,29,33H,6-10,14,19,21,23H2,1-5H3