4-[1-(4-tert-butylphenyl)carbonylpiperidin-4-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[1-(4-tert-butylphenyl)carbonylpiperidin-4-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[1-(4-tert-butylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[1-[(4-tert-butylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(4-tert-butylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(4-tert-butylbenzoyl)isonipecotoyl]piperazine-1-carboxylic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)18-6-4-16(5-7-18)19(26)23-10-8-17(9-11-23)20(27)24-12-14-25(15-13-24)21(28)29/h4-7,17H,8-15H2,1-3H3,(H,28,29)