tert-butyl 4-[2-[4-[4-(3-oxidanylpiperidin-1-yl)carbonylphenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-[4-(3-oxidanylpiperidin-1-yl)carbonylphenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-[4-[(3-hydroxy-1-piperidinyl)-oxomethyl]phenyl]-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H44N4O4 MolecularWeight: 500.67336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCCC(C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCCC(C4)O

InChI

InChI=1S/C28H44N4O4/c1-28(2,3)36-27(35)31-15-11-22(12-16-31)10-14-29-17-19-30(20-18-29)24-8-6-23(7-9-24)26(34)32-13-4-5-25(33)21-32/h6-9,22,25,33H,4-5,10-21H2,1-3H3