2-[[4-(4-tert-butylphenyl)-3-chloranyl-phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-3-chloranyl-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[4-(4-tert-butylphenyl)-3-chloro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[4-(4-tert-butylphenyl)-3-chloroanilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[4-(4-tert-butylphenyl)-3-chlorophenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[4-(4-tert-butylphenyl)-3-chloro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C23H24ClNO3 MolecularWeight: 397.89456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)Cl

InChI

InChI=1S/C23H24ClNO3/c1-23(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20(17)24)25-21(26)18-5-4-6-19(18)22(27)28/h7-13H,4-6H2,1-3H3,(H,25,26)(H,27,28)