3-[(2-chlorophenyl)methyl-cyclohexylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-chlorophenyl)methyl-cyclohexylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-chlorophenyl)methyl-(cyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-chlorophenyl)methyl-[cyclohexyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-chlorophenyl)methyl-(cyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-chlorobenzyl)-(cyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H24ClNO3S MolecularWeight: 453.98096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2Cl)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H24ClNO3S/c26-20-14-8-7-13-19(20)16-27(24(28)18-11-5-2-6-12-18)21-15-22(31-23(21)25(29)30)17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18H,2,5-6,11-12,16H2,(H,29,30)