3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-tert-butylbenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-tert-butylbenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H24N2O3/c1-21(2,3)16-11-9-15(10-12-16)19(24)26-14-6-13-23-18-8-5-4-7-17(18)22-20(23)25/h4-5,7-12H,6,13-14H2,1-3H3,(H,22,25)