ethyl 2-azanyl-3-[2-[azanyl-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-2,3-dimethyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate

Systemtic Name: ethyl 2-azanyl-3-[2-[azanyl-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-2,3-dimethyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate Openeye Name: ethyl 2-amino-3-[2-[amino-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-2,3-dimethyl-4-oxo-4-pyrrolidin-1-yl-butanoate CAS Name: 2-amino-3-[2-[amino-(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-2,3-dimethyl-4-oxo-4-(1-pyrrolidinyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-2,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutanoate Traditional Name: 2-amino-3-[2-[amino-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-4-keto-2,3-dimethyl-4-pyrrolidino-butyric acid ethyl ester Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(C)(C1=CC2=C(C=C1)N(C(=N2)C(C3=CC=C(C=C3)C#N)N)C)C(=O)N4CCCC4)N

Isomeric SMILES

CCOC(=O)C(C)(C(C)(C1=CC2=C(C=C1)N(C(=N2)C(C3=CC=C(C=C3)C#N)N)C)C(=O)N4CCCC4)N

InChI

InChI=1S/C28H34N6O3/c1-5-37-26(36)28(3,31)27(2,25(35)34-14-6-7-15-34)20-12-13-22-21(16-20)32-24(33(22)4)23(30)19-10-8-18(17-29)9-11-19/h8-13,16,23H,5-7,14-15,30-31H2,1-4H3