tert-butyl 3-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(27)24-10-6-7-16(15-24)19(26)23-13-11-22(12-14-23)17-8-4-5-9-18(17)25/h4-5,8-9,16,25H,6-7,10-15H2,1-3H3