ethyl 3-[[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O4/c1-2-37-29(35)15-16-33(21-24-14-9-17-38-24)27-19-28-26(18-25(27)31-23-12-7-4-8-13-23)32-30(36)34(28)20-22-10-5-3-6-11-22/h4,7-9,12-14,17-19,22,31H,2-3,5-6,10-11,15-16,20-21H2,1H3,(H,32,36)