methyl 4-[1-[1-cyclohexyl-2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]benzoate

Systemtic Name: methyl 4-[1-[1-cyclohexyl-2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]benzoate Openeye Name: methyl 4-[1-[1-cyclohexyl-2-(4-morpholinoanilino)-2-oxo-ethyl]benzimidazol-2-yl]benzoate CAS Name: 4-[1-[1-cyclohexyl-2-[4-(4-morpholinyl)anilino]-2-oxoethyl]-2-benzimidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[1-cyclohexyl-2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzimidazol-2-yl]benzoate Traditional Name: 4-[1-[1-cyclohexyl-2-keto-2-(4-morpholinoanilino)ethyl]benzimidazol-2-yl]benzoic acid methyl ester Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C(C4CCCCC4)C(=O)NC5=CC=C(C=C5)N6CCOCC6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C(C4CCCCC4)C(=O)NC5=CC=C(C=C5)N6CCOCC6

InChI

InChI=1S/C33H36N4O4/c1-40-33(39)25-13-11-24(12-14-25)31-35-28-9-5-6-10-29(28)37(31)30(23-7-3-2-4-8-23)32(38)34-26-15-17-27(18-16-26)36-19-21-41-22-20-36/h5-6,9-18,23,30H,2-4,7-8,19-22H2,1H3,(H,34,38)