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

Systemtic Name: ethyl 3-[2-[azanyl-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-2-methoxy-3-methyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate Openeye Name: ethyl 3-[2-[amino-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-2-methoxy-3-methyl-4-oxo-4-pyrrolidin-1-yl-butanoate CAS Name: 3-[2-[amino-(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-2-methoxy-3-methyl-4-oxo-4-(1-pyrrolidinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[amino-(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-2-methoxy-3-methyl-4-oxo-4-pyrrolidin-1-ylbutanoate Traditional Name: 3-[2-[amino-(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-4-keto-2-methoxy-3-methyl-4-pyrrolidino-butyric acid ethyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O4/c1-5-37-26(34)24(36-4)28(2,27(35)33-14-6-7-15-33)20-12-13-22-21(16-20)31-25(32(22)3)23(30)19-10-8-18(17-29)9-11-19/h8-13,16,23-24H,5-7,14-15,30H2,1-4H3