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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-cyclohexylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-(cyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[cyclohexyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-(cyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(cyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C29H33NO3S MolecularWeight: 475.64222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4CCCCC4

InChI

InChI=1S/C29H33NO3S/c1-29(2,3)23-16-14-20(15-17-23)19-30(27(31)22-12-8-5-9-13-22)24-18-25(34-26(24)28(32)33)21-10-6-4-7-11-21/h4,6-7,10-11,14-18,22H,5,8-9,12-13,19H2,1-3H3,(H,32,33)