tert-butyl 3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N4O4/c1-5-19-9-6-7-11-21(19)26-22(30)18-27-13-15-28(16-14-27)23(31)20-10-8-12-29(17-20)24(32)33-25(2,3)4/h6-7,9,11,20H,5,8,10,12-18H2,1-4H3,(H,26,30)