N'-[2-[3,4-dimethoxy-2-(phenylmethyl)phenyl]ethyl]-N-phenethyl-hexanediamide

Systemtic Name: N'-[2-[3,4-dimethoxy-2-(phenylmethyl)phenyl]ethyl]-N-phenethyl-hexanediamide Openeye Name: N'-[2-(2-benzyl-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-hexanediamide CAS Name: N'-[2-[3,4-dimethoxy-2-(phenylmethyl)phenyl]ethyl]-N-phenethylhexanediamide IUPAC Name: N'-[2-(2-benzyl-3,4-dimethoxyphenyl)ethyl]-N-phenethylhexanediamide Traditional Name: N'-[2-(2-benzyl-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-adipamide Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C31H38N2O4/c1-36-28-18-17-26(27(31(28)37-2)23-25-13-7-4-8-14-25)20-22-33-30(35)16-10-9-15-29(34)32-21-19-24-11-5-3-6-12-24/h3-8,11-14,17-18H,9-10,15-16,19-23H2,1-2H3,(H,32,34)(H,33,35)