4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoic acid Openeye Name: 4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoic acid Traditional Name: 4-[5-(4-chlorophenyl)pent-3-ynylamino]benzoic acid Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CCCNC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CC#CCCNC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C18H16ClNO2/c19-16-9-5-14(6-10-16)4-2-1-3-13-20-17-11-7-15(8-12-17)18(21)22/h5-12,20H,3-4,13H2,(H,21,22)