1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)piperazine-2-carboxylic acid hydrochloride

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)piperazine-2-carboxylic acid hydrochloride Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid hydrochloride CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-2-piperazinecarboxylic acid hydrochloride IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)piperazine-2-carboxylic acid hydrochloride Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)piperazine-2-carboxylic acid hydrochloride Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCNCC2(CC3=CC=CC=C3)C(=O)O)OC.Cl

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCNCC2(CC3=CC=CC=C3)C(=O)O)OC.Cl

InChI

InChI=1S/C24H30N2O4.ClH/c1-23(2,3)19-11-10-18(14-20(19)30-4)21(27)26-13-12-25-16-24(26,22(28)29)15-17-8-6-5-7-9-17;/h5-11,14,25H,12-13,15-16H2,1-4H3,(H,28,29);1H