[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O4/c1-20-15-8-4-5-9-16(15)22(19(20)25)13-10-18(24)26-14-17(23)21-11-6-2-3-7-12-21/h4-5,8-9H,2-3,6-7,10-14H2,1H3