ethanedioic acid; (4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-methoxyphenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazino]methanone; oxalic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O2.C2H2O4/c1-19-9-3-4-16(19)14-20-10-12-21(13-11-20)18(22)15-5-7-17(23-2)8-6-15;3-1(4)2(5)6/h3-9H,10-14H2,1-2H3;(H,3,4)(H,5,6)