1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCNCC2(CC3=CSC=N3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCNCC2(CC3=CSC=N3)C(=O)O)OC

InChI

InChI=1S/C21H27N3O4S/c1-20(2,3)16-6-5-14(9-17(16)28-4)18(25)24-8-7-22-12-21(24,19(26)27)10-15-11-29-13-23-15/h5-6,9,11,13,22H,7-8,10,12H2,1-4H3,(H,26,27)