tert-butyl 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(2-ethylanilino)-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[2-(2-ethylanilino)-2-oxoethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(2-ethylanilino)-2-keto-ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-5-15-9-6-7-11-17(15)23-18(25)13-22-19(26)16-10-8-12-24(14-16)20(27)28-21(2,3)4/h6-7,9,11,16H,5,8,10,12-14H2,1-4H3,(H,22,26)(H,23,25)