6-azanyl-2,7-bis(3,4-dimethoxyphenyl)-2-pentan-3-yl-heptanenitrile

Systemtic Name: 6-azanyl-2,7-bis(3,4-dimethoxyphenyl)-2-pentan-3-yl-heptanenitrile Openeye Name: 6-amino-2,7-bis(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)heptanenitrile CAS Name: 6-amino-2,7-bis(3,4-dimethoxyphenyl)-2-pentan-3-ylheptanenitrile IUPAC Name: 6-amino-2,7-bis(3,4-dimethoxyphenyl)-2-pentan-3-ylheptanenitrile Traditional Name: 6-amino-2,7-bis(3,4-dimethoxyphenyl)-2-(1-ethylpropyl)enanthonitrile Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCCC(CC1=CC(=C(C=C1)OC)OC)N)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(CC)C(CCCC(CC1=CC(=C(C=C1)OC)OC)N)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H40N2O4/c1-7-21(8-2)28(19-29,22-12-14-25(32-4)27(18-22)34-6)15-9-10-23(30)16-20-11-13-24(31-3)26(17-20)33-5/h11-14,17-18,21,23H,7-10,15-16,30H2,1-6H3