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

Systemtic Name: ethanedioic acid; 4-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-chromen-2-one; oxalic acid CAS Name: 4-[(4-ethyl-1-piperazinyl)methyl]-7-methyl-1-benzopyran-2-one; oxalic acid IUPAC Name: 4-[(4-ethylpiperazin-1-yl)methyl]-7-methylchromen-2-one; oxalic acid Traditional Name: 4-[(4-ethylpiperazino)methyl]-7-methyl-coumarin; oxalic acid Formula: C21H26N2O10 MolecularWeight: 466.43854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O2.2C2H2O4/c1-3-18-6-8-19(9-7-18)12-14-11-17(20)21-16-10-13(2)4-5-15(14)16;2*3-1(4)2(5)6/h4-5,10-11H,3,6-9,12H2,1-2H3;2*(H,3,4)(H,5,6)