[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H27N3O4/c1-4-13-25-18-10-5-6-11-19(18)26(23(25)29)14-12-21(28)30-15-20(27)24-22-16(2)8-7-9-17(22)3/h5-11H,4,12-15H2,1-3H3,(H,24,27)