ethanedioic acid; 3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one

Systemtic Name: ethanedioic acid; 3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]chroman-4-one; oxalic acid CAS Name: oxalic acid; 3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2,3-dihydrochromen-4-one; oxalic acid Traditional Name: 3-[(4-benzylpiperazino)methyl]chroman-4-one; oxalic acid Formula: C25H28N2O10 MolecularWeight: 516.49722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2COC3=CC=CC=C3C2=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2COC3=CC=CC=C3C2=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O2.2C2H2O4/c24-21-18(16-25-20-9-5-4-8-19(20)21)15-23-12-10-22(11-13-23)14-17-6-2-1-3-7-17;2*3-1(4)2(5)6/h1-9,18H,10-16H2;2*(H,3,4)(H,5,6)