ethyl 2-(2-azanylidene-3-hexadecyl-benzimidazol-1-yl)ethanoate

Systemtic Name: ethyl 2-(2-azanylidene-3-hexadecyl-benzimidazol-1-yl)ethanoate Openeye Name: ethyl 2-(3-hexadecyl-2-imino-benzimidazol-1-yl)acetate CAS Name: 2-(3-hexadecyl-2-imino-1-benzimidazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-hexadecyl-2-iminobenzimidazol-1-yl)acetate Traditional Name: 2-(3-cetyl-2-imino-benzimidazol-1-yl)acetic acid ethyl ester Formula: C27H45N3O2 MolecularWeight: 443.6651

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)OCC

InChI

InChI=1S/C27H45N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-24-20-17-18-21-25(24)30(27(29)28)23-26(31)32-4-2/h17-18,20-21,28H,3-16,19,22-23H2,1-2H3