ethyl 1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]pyrrole-2-carboxylate Openeye Name: ethyl 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]pyrrole-2-carboxylate CAS Name: 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]pyrrole-2-carboxylate Traditional Name: 1-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]pyrrole-2-carboxylic acid ethyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CN1C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=CN1C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3/c1-2-34-26(32)23-14-9-15-30(23)24-17-25-22(16-21(24)28-20-12-7-4-8-13-20)29-27(33)31(25)18-19-10-5-3-6-11-19/h4,7-9,12-17,19,28H,2-3,5-6,10-11,18H2,1H3,(H,29,33)