O4-tert-butyl O1-ethyl 2-(benzimidazol-1-yl)butanedioate

Systemtic Name: O4-tert-butyl O1-ethyl 2-(benzimidazol-1-yl)butanedioate Openeye Name: O4-tert-butyl O1-ethyl 2-(benzimidazol-1-yl)butanedioate CAS Name: 2-(1-benzimidazolyl)butanedioic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 2-(benzimidazol-1-yl)butanedioate Traditional Name: 2-(benzimidazol-1-yl)succinic acid O4-tert-butyl ester O1-ethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)OC(C)(C)C)N1C=NC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)C(CC(=O)OC(C)(C)C)N1C=NC2=CC=CC=C21

InChI

InChI=1S/C17H22N2O4/c1-5-22-16(21)14(10-15(20)23-17(2,3)4)19-11-18-12-8-6-7-9-13(12)19/h6-9,11,14H,5,10H2,1-4H3