tert-butyl 4-[4-[3-[(1-tert-butylpiperidin-4-yl)amino]-3-oxidanylidene-propyl]phenyl]piperazine-1-carboxylate ethanoate

Systemtic Name: tert-butyl 4-[4-[3-[(1-tert-butylpiperidin-4-yl)amino]-3-oxidanylidene-propyl]phenyl]piperazine-1-carboxylate ethanoate Openeye Name: tert-butyl 4-[4-[3-[(1-tert-butyl-4-piperidyl)amino]-3-oxo-propyl]phenyl]piperazine-1-carboxylate acetate CAS Name: 4-[4-[3-[(1-tert-butyl-4-piperidinyl)amino]-3-oxopropyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester acetate IUPAC Name: tert-butyl 4-[4-[3-[(1-tert-butylpiperidin-4-yl)amino]-3-oxopropyl]phenyl]piperazine-1-carboxylate acetate Traditional Name: 4-[4-[3-[(1-tert-butyl-4-piperidyl)amino]-3-keto-propyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester acetate Formula: C29H47N4O5- MolecularWeight: 531.70728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)N1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)[O-].CC(C)(C)N1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H44N4O3.C2H4O2/c1-26(2,3)31-15-13-22(14-16-31)28-24(32)12-9-21-7-10-23(11-8-21)29-17-19-30(20-18-29)25(33)34-27(4,5)6;1-2(3)4/h7-8,10-11,22H,9,12-20H2,1-6H3,(H,28,32);1H3,(H,3,4)/p-1