2,6-bis(azanyl)-N-hexadecyl-hexanamide; 5-phenylpentanoic acid

Systemtic Name: 2,6-bis(azanyl)-N-hexadecyl-hexanamide; 5-phenylpentanoic acid Openeye Name: 2,6-diamino-N-hexadecyl-hexanamide; 5-phenylpentanoic acid CAS Name: 2,6-diamino-N-hexadecylhexanamide; 5-phenylpentanoic acid IUPAC Name: 2,6-diamino-N-hexadecylhexanamide; 5-phenylpentanoic acid Traditional Name: 2,6-diamino-N-cetyl-hexanamide; 5-phenylvaleric acid Formula: C33H61N3O3 MolecularWeight: 547.85574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C(CCCCN)N.C1=CC=C(C=C1)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C(CCCCN)N.C1=CC=C(C=C1)CCCCC(=O)O

InChI

InChI=1S/C22H47N3O.C11H14O2/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;12-11(13)9-5-4-8-10-6-2-1-3-7-10/h21H,2-20,23-24H2,1H3,(H,25,26);1-3,6-7H,4-5,8-9H2,(H,12,13)