dodecyl 3-[[2-(1H-benzimidazol-2-yl)-2-imidazol-1-yl-ethanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: dodecyl 3-[[2-(1H-benzimidazol-2-yl)-2-imidazol-1-yl-ethanoyl]amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3-[[2-(1H-benzimidazol-2-yl)-2-imidazol-1-yl-acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(1H-benzimidazol-2-yl)-2-(1-imidazolyl)-1-oxoethyl]amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3-[[2-(1H-benzimidazol-2-yl)-2-imidazol-1-ylacetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(1H-benzimidazol-2-yl)-2-imidazol-1-yl-acetyl]amino]-4-chloro-benzoic acid lauryl ester Formula: C31H38ClN5O3 MolecularWeight: 564.11812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=NC3=CC=CC=C3N2)N4C=CN=C4

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C2=NC3=CC=CC=C3N2)N4C=CN=C4

InChI

InChI=1S/C31H38ClN5O3/c1-2-3-4-5-6-7-8-9-10-13-20-40-31(39)23-16-17-24(32)27(21-23)36-30(38)28(37-19-18-33-22-37)29-34-25-14-11-12-15-26(25)35-29/h11-12,14-19,21-22,28H,2-10,13,20H2,1H3,(H,34,35)(H,36,38)