methyl 3-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoate CAS Name: 3-[[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=CC(=C5)C(=O)OC

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=CC(=C5)C(=O)OC

InChI

InChI=1S/C29H30N4O3/c1-20(2)15-16-31-24-12-5-4-11-23(24)30-27(31)19-33-26-14-7-6-13-25(26)32(29(33)35)18-21-9-8-10-22(17-21)28(34)36-3/h4-14,17,20H,15-16,18-19H2,1-3H3