2-chloranyl-3-[2-methyl-3-[1-(morpholin-4-ylcarbonylamino)ethylamino]-3-oxidanyl-butan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-3-[2-methyl-3-[1-(morpholin-4-ylcarbonylamino)ethylamino]-3-oxidanyl-butan-2-yl]benzoic acid Openeye Name: 2-chloro-3-[2-hydroxy-1,1-dimethyl-2-[1-(morpholine-4-carbonylamino)ethylamino]propyl]benzoic acid CAS Name: 2-chloro-3-[3-hydroxy-2-methyl-3-[1-[[4-morpholinyl(oxo)methyl]amino]ethylamino]butan-2-yl]benzoic acid IUPAC Name: 2-chloro-3-[3-hydroxy-2-methyl-3-[1-(morpholine-4-carbonylamino)ethylamino]butan-2-yl]benzoic acid Traditional Name: 2-chloro-3-[2-hydroxy-1,1-dimethyl-2-[1-(morpholine-4-carbonylamino)ethylamino]propyl]benzoic acid Formula: C19H28ClN3O5 MolecularWeight: 413.89572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)N1CCOCC1)NC(C)(C(C)(C)C2=CC=CC(=C2Cl)C(=O)O)O

Isomeric SMILES

CC(NC(=O)N1CCOCC1)NC(C)(C(C)(C)C2=CC=CC(=C2Cl)C(=O)O)O

InChI

InChI=1S/C19H28ClN3O5/c1-12(21-17(26)23-8-10-28-11-9-23)22-19(4,27)18(2,3)14-7-5-6-13(15(14)20)16(24)25/h5-7,12,22,27H,8-11H2,1-4H3,(H,21,26)(H,24,25)