3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)19(26)23-12-9-15(10-13-23)18(25)28-14-6-11-24-17-8-5-4-7-16(17)22-20(24)27/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,27)