3-[2-[(4-tert-butylphenyl)methyl]butanoylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-[(4-tert-butylphenyl)methyl]butanoylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[2-[(4-tert-butylphenyl)methyl]butanoylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-[(4-tert-butylphenyl)methyl]-1-oxobutyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[2-[(4-tert-butylphenyl)methyl]butanoylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[2-(4-tert-butylbenzyl)butanoylamino]-5-phenyl-2-thenoic acid Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C(C)(C)C)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C(C)(C)C)C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29NO3S/c1-5-18(15-17-11-13-20(14-12-17)26(2,3)4)24(28)27-21-16-22(31-23(21)25(29)30)19-9-7-6-8-10-19/h6-14,16,18H,5,15H2,1-4H3,(H,27,28)(H,29,30)