methyl 4-[[4-(6-chloranyl-1H-benzimidazol-2-yl)phenyl]amino]-2-(cyclohexylmethyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(6-chloranyl-1H-benzimidazol-2-yl)phenyl]amino]-2-(cyclohexylmethyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(6-chloro-1H-benzimidazol-2-yl)anilino]-2-(cyclohexylmethyl)-4-oxo-butanoate CAS Name: 4-[4-(6-chloro-1H-benzimidazol-2-yl)anilino]-2-(cyclohexylmethyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(6-chloro-1H-benzimidazol-2-yl)anilino]-2-(cyclohexylmethyl)-4-oxobutanoate Traditional Name: 4-[4-(6-chloro-1H-benzimidazol-2-yl)anilino]-2-(cyclohexylmethyl)-4-keto-butyric acid methyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C(CC1CCCCC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O3/c1-32-25(31)18(13-16-5-3-2-4-6-16)14-23(30)27-20-10-7-17(8-11-20)24-28-21-12-9-19(26)15-22(21)29-24/h7-12,15-16,18H,2-6,13-14H2,1H3,(H,27,30)(H,28,29)