tert-butyl 4-[2-(6-acetamido-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(6-acetamido-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(6-acetamido-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(6-acetamido-1,2-benzoxazol-3-yl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-acetamido-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-(6-acetamidoindoxazen-3-yl)ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=NO2)CCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=NO2)CCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-14(25)22-16-6-7-17-18(23-28-19(17)13-16)8-5-15-9-11-24(12-10-15)20(26)27-21(2,3)4/h6-7,13,15H,5,8-12H2,1-4H3,(H,22,25)