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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-phenyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-phenyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-phenyl-2-(4-thiazolylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-phenyl-2-(1,3-thiazol-4-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-phenyl-2-(thiazol-4-ylmethyl)piperazine-2-carboxylic acid Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C4=CC=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2(CC3=CSC=N3)C(=O)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O4S/c1-26(2,3)22-11-10-19(14-23(22)34-4)24(31)30-13-12-29(21-8-6-5-7-9-21)17-27(30,25(32)33)15-20-16-35-18-28-20/h5-11,14,16,18H,12-13,15,17H2,1-4H3,(H,32,33)