3-[4-(9-thiophen-2-ylnonylamino)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-(9-thiophen-2-ylnonylamino)phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[9-(2-thienyl)nonylamino]phenyl]prop-2-ynoic acid CAS Name: 3-[4-(9-thiophen-2-ylnonylamino)phenyl]-2-propynoic acid IUPAC Name: 3-[4-(9-thiophen-2-ylnonylamino)phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[9-(2-thienyl)nonylamino]phenyl]propiolic acid Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCCCCCCCNC2=CC=C(C=C2)C#CC(=O)O

Isomeric SMILES

C1=CSC(=C1)CCCCCCCCCNC2=CC=C(C=C2)C#CC(=O)O

InChI

InChI=1S/C22H27NO2S/c24-22(25)16-13-19-11-14-20(15-12-19)23-17-7-5-3-1-2-4-6-9-21-10-8-18-26-21/h8,10-12,14-15,18,23H,1-7,9,17H2,(H,24,25)