2,6-bis(azanyl)-N-hexadecyl-hexanamide; 2-bromanyl-5-methoxy-aniline

Systemtic Name: 2,6-bis(azanyl)-N-hexadecyl-hexanamide; 2-bromanyl-5-methoxy-aniline Openeye Name: 2-bromo-5-methoxy-aniline; 2,6-diamino-N-hexadecyl-hexanamide CAS Name: 2-bromo-5-methoxyaniline; 2,6-diamino-N-hexadecylhexanamide IUPAC Name: 2-bromo-5-methoxyaniline; 2,6-diamino-N-hexadecylhexanamide Traditional Name: (2-bromo-5-methoxy-phenyl)amine; 2,6-diamino-N-cetyl-hexanamide Formula: C29H55BrN4O2 MolecularWeight: 571.6766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C(CCCCN)N.COC1=CC(=C(C=C1)Br)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C(CCCCN)N.COC1=CC(=C(C=C1)Br)N

InChI

InChI=1S/C22H47N3O.C7H8BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22(26)21(24)18-15-16-19-23;1-10-5-2-3-6(8)7(9)4-5/h21H,2-20,23-24H2,1H3,(H,25,26);2-4H,9H2,1H3