ethanedioic acid; 1-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]-2-phenoxy-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O2.C2H2O4/c1-19-9-5-6-16(19)14-20-10-12-21(13-11-20)18(22)15-23-17-7-3-2-4-8-17;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)