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

Systemtic Name: methyl 2-(2-azanylidene-3-hexadecyl-benzimidazol-1-yl)ethanoate Openeye Name: methyl 2-(3-hexadecyl-2-imino-benzimidazol-1-yl)acetate CAS Name: 2-(3-hexadecyl-2-imino-1-benzimidazolyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-hexadecyl-2-iminobenzimidazol-1-yl)acetate Traditional Name: 2-(3-cetyl-2-imino-benzimidazol-1-yl)acetic acid methyl ester Formula: C26H43N3O2 MolecularWeight: 429.63852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-28-23-19-16-17-20-24(23)29(26(28)27)22-25(30)31-2/h16-17,19-20,27H,3-15,18,21-22H2,1-2H3