methyl 11-[3-(11-methoxy-11-oxidanylidene-undecyl)-2-oxidanylidene-benzimidazol-1-yl]undecanoate

Systemtic Name: methyl 11-[3-(11-methoxy-11-oxidanylidene-undecyl)-2-oxidanylidene-benzimidazol-1-yl]undecanoate Openeye Name: methyl 11-[3-(11-methoxy-11-oxo-undecyl)-2-oxo-benzimidazol-1-yl]undecanoate CAS Name: 11-[3-(11-methoxy-11-oxoundecyl)-2-oxo-1-benzimidazolyl]undecanoic acid methyl ester IUPAC Name: methyl 11-[3-(11-methoxy-11-oxoundecyl)-2-oxobenzimidazol-1-yl]undecanoate Traditional Name: 11-[2-keto-3-(11-keto-11-methoxy-undecyl)benzimidazol-1-yl]undecanoic acid methyl ester Formula: C31H50N2O5 MolecularWeight: 530.7391

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCN1C2=CC=CC=C2N(C1=O)CCCCCCCCCCC(=O)OC

Isomeric SMILES

COC(=O)CCCCCCCCCCN1C2=CC=CC=C2N(C1=O)CCCCCCCCCCC(=O)OC

InChI

InChI=1S/C31H50N2O5/c1-37-29(34)23-15-11-7-3-5-9-13-19-25-32-27-21-17-18-22-28(27)33(31(32)36)26-20-14-10-6-4-8-12-16-24-30(35)38-2/h17-18,21-22H,3-16,19-20,23-26H2,1-2H3