4-(4-morpholin-4-ylbut-2-ynylamino)benzoic acid

Systemtic Name: 4-(4-morpholin-4-ylbut-2-ynylamino)benzoic acid Openeye Name: 4-(4-morpholinobut-2-ynylamino)benzoic acid CAS Name: 4-[4-(4-morpholinyl)but-2-ynylamino]benzoic acid IUPAC Name: 4-(4-morpholin-4-ylbut-2-ynylamino)benzoic acid Traditional Name: 4-(4-morpholinobut-2-ynylamino)benzoic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1COCCN1CC#CCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H18N2O3/c18-15(19)13-3-5-14(6-4-13)16-7-1-2-8-17-9-11-20-12-10-17/h3-6,16H,7-12H2,(H,18,19)