tert-butyl 4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O5/c1-13-15-7-5-6-8-16(15)28-17(13)19(26)23-22-18(25)14-9-11-24(12-10-14)20(27)29-21(2,3)4/h5-8,14H,9-12H2,1-4H3,(H,22,25)(H,23,26)