ethanedioic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-oxidanylidene-chromene-3-carboxamide

Systemtic Name: ethanedioic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-oxo-chromene-3-carboxamide; oxalic acid CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4-oxo-1-benzopyran-3-carboxamide; oxalic acid IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-oxochromene-3-carboxamide; oxalic acid Traditional Name: 4-keto-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]chromene-3-carboxamide; oxalic acid Formula: C27H31N3O8 MolecularWeight: 525.55034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=COC4=CC=CC=C4C3=O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=COC4=CC=CC=C4C3=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O4.C2H2O4/c1-31-23-11-5-3-9-21(23)28-16-14-27(15-17-28)13-7-6-12-26-25(30)20-18-32-22-10-4-2-8-19(22)24(20)29;3-1(4)2(5)6/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,26,30);(H,3,4)(H,5,6)