4-[4-(4-chlorophenyl)but-3-ynylamino]benzoic acid

Systemtic Name: 4-[4-(4-chlorophenyl)but-3-ynylamino]benzoic acid Openeye Name: 4-[4-(4-chlorophenyl)but-3-ynylamino]benzoic acid CAS Name: 4-[4-(4-chlorophenyl)but-3-ynylamino]benzoic acid IUPAC Name: 4-[4-(4-chlorophenyl)but-3-ynylamino]benzoic acid Traditional Name: 4-[4-(4-chlorophenyl)but-3-ynylamino]benzoic acid Formula: C17H14ClNO2 MolecularWeight: 299.75156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCNC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCCNC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C17H14ClNO2/c18-15-8-4-13(5-9-15)3-1-2-12-19-16-10-6-14(7-11-16)17(20)21/h4-11,19H,2,12H2,(H,20,21)