ethanedioic acid; 7-methoxy-N-[4-(4-quinoxalin-5-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

Systemtic Name: ethanedioic acid; 7-methoxy-N-[4-(4-quinoxalin-5-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-[4-(4-quinoxalin-5-ylpiperazin-1-yl)butyl]benzofuran-2-carboxamide; oxalic acid CAS Name: 7-methoxy-N-[4-[4-(5-quinoxalinyl)-1-piperazinyl]butyl]-2-benzofurancarboxamide; oxalic acid IUPAC Name: 7-methoxy-N-[4-(4-quinoxalin-5-ylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide; oxalic acid Traditional Name: 7-methoxy-N-[4-(4-quinoxalin-5-ylpiperazino)butyl]coumarilamide; oxalic acid Formula: C30H33N5O11 MolecularWeight: 639.60992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC5=NC=CN=C54.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC5=NC=CN=C54.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N5O3.2C2H2O4/c1-33-22-9-4-6-19-18-23(34-25(19)22)26(32)29-10-2-3-13-30-14-16-31(17-15-30)21-8-5-7-20-24(21)28-12-11-27-20;2*3-1(4)2(5)6/h4-9,11-12,18H,2-3,10,13-17H2,1H3,(H,29,32);2*(H,3,4)(H,5,6)