ethanedioic acid; 8-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: ethanedioic acid; 8-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methyl-chromen-2-one; oxalic acid CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one; oxalic acid IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one; oxalic acid Traditional Name: 8-[(4-ethylpiperazino)methyl]-7-hydroxy-4-methyl-coumarin; oxalic acid Formula: C19H24N2O7 MolecularWeight: 392.40306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O3.C2H2O4/c1-3-18-6-8-19(9-7-18)11-14-15(20)5-4-13-12(2)10-16(21)22-17(13)14;3-1(4)2(5)6/h4-5,10,20H,3,6-9,11H2,1-2H3;(H,3,4)(H,5,6)