methyl 2-[4-[2-(2-azanylidene-3-hexadecyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide

Systemtic Name: methyl 2-[4-[2-(2-azanylidene-3-hexadecyl-benzimidazol-1-yl)ethanoyl]phenoxy]ethanoate hydrobromide Openeye Name: methyl 2-[4-[2-(3-hexadecyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide CAS Name: 2-[4-[2-(3-hexadecyl-2-imino-1-benzimidazolyl)-1-oxoethyl]phenoxy]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-[4-[2-(3-hexadecyl-2-iminobenzimidazol-1-yl)acetyl]phenoxy]acetate hydrobromide Traditional Name: 2-[4-[2-(3-cetyl-2-imino-benzimidazol-1-yl)acetyl]phenoxy]acetic acid methyl ester hydrobromide Formula: C34H50BrN3O4 MolecularWeight: 644.6825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC.Br

InChI

InChI=1S/C34H49N3O4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-36-30-19-16-17-20-31(30)37(34(36)35)26-32(38)28-21-23-29(24-22-28)41-27-33(39)40-2;/h16-17,19-24,35H,3-15,18,25-27H2,1-2H3;1H