N-(3-carbamimidoylphenyl)-2-hexadecyl-octadecanamide

Systemtic Name: N-(3-carbamimidoylphenyl)-2-hexadecyl-octadecanamide Openeye Name: N-(3-carbamimidoylphenyl)-2-hexadecyl-octadecanamide CAS Name: N-(3-carbamimidoylphenyl)-2-hexadecyloctadecanamide IUPAC Name: N-(3-carbamimidoylphenyl)-2-hexadecyloctadecanamide Traditional Name: N-(3-amidinophenyl)-2-cetyl-stearamide Formula: C41H75N3O MolecularWeight: 626.0537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)NC1=CC=CC(=C1)C(=N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)NC1=CC=CC(=C1)C(=N)N

InChI

InChI=1S/C41H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-37(41(45)44-39-35-31-34-38(36-39)40(42)43)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34-37H,3-30,32-33H2,1-2H3,(H3,42,43)(H,44,45)