tert-butyl 4-[4-azanyl-3-[(4-butanoyloxypiperidin-4-yl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-azanyl-3-[(4-butanoyloxypiperidin-4-yl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-[(4-butanoyloxypiperidine-4-carbonyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-amino-3-[[oxo-[4-(1-oxobutoxy)-4-piperidinyl]methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-[(4-butanoyloxypiperidine-4-carbonyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-amino-3-[(4-butyryloxyisonipecotoyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H39N5O5 MolecularWeight: 489.60766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(CCNCC1)C(=O)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCCC(=O)OC1(CCNCC1)C(=O)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C25H39N5O5/c1-5-6-21(31)34-25(9-11-27-12-10-25)22(32)28-20-17-18(7-8-19(20)26)29-13-15-30(16-14-29)23(33)35-24(2,3)4/h7-8,17,27H,5-6,9-16,26H2,1-4H3,(H,28,32)