6-chloranyl-7-methyl-4-[(2-morpholin-4-ylethylamino)methyl]chromen-2-one; ethanedioic acid

Systemtic Name: 6-chloranyl-7-methyl-4-[(2-morpholin-4-ylethylamino)methyl]chromen-2-one; ethanedioic acid Openeye Name: 6-chloro-7-methyl-4-[(2-morpholinoethylamino)methyl]chromen-2-one; oxalic acid CAS Name: 6-chloro-7-methyl-4-[[2-(4-morpholinyl)ethylamino]methyl]-1-benzopyran-2-one; oxalic acid IUPAC Name: 6-chloro-7-methyl-4-[(2-morpholin-4-ylethylamino)methyl]chromen-2-one; oxalic acid Traditional Name: 6-chloro-7-methyl-4-[(2-morpholinoethylamino)methyl]coumarin; oxalic acid Formula: C19H23ClN2O7 MolecularWeight: 426.84812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCCN3CCOCC3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCCN3CCOCC3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21ClN2O3.C2H2O4/c1-12-8-16-14(10-15(12)18)13(9-17(21)23-16)11-19-2-3-20-4-6-22-7-5-20;3-1(4)2(5)6/h8-10,19H,2-7,11H2,1H3;(H,3,4)(H,5,6)