2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(4-tert-butylbenzyl)-(3,3-diphenylpropyl)amino]methyl]thiazole-4-carboxylic acid Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC(=CS4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C31H34N2O2S/c1-31(2,3)26-16-14-23(15-17-26)20-33(21-29-32-28(22-36-29)30(34)35)19-18-27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,22,27H,18-21H2,1-3H3,(H,34,35)