tert-butyl 4-[1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-[(2-methoxy-2-oxo-ethyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[1-[(2-methoxy-2-oxoethyl)amino]-2-methyl-5-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[(2-methoxy-2-oxoethyl)amino]-2-methylbenzimidazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[1-[(2-keto-2-methoxy-ethyl)amino]-2-methyl-benzimidazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1NCC(=O)OC)C=CC(=C2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=C(N1NCC(=O)OC)C=CC(=C2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O4/c1-14-23-17-12-16(6-7-18(17)25(14)22-13-19(26)28-5)15-8-10-24(11-9-15)20(27)29-21(2,3)4/h6-7,12,15,22H,8-11,13H2,1-5H3