[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H24N4O4/c1-3-13-26-19-6-4-5-7-20(19)27(23(26)30)14-12-21(28)31-16(2)22(29)25-18-10-8-17(15-24)9-11-18/h4-11,16H,3,12-14H2,1-2H3,(H,25,29)/t16-/m1/s1