ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-pyridyl)methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(3-pyridyl)methanone; oxalic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O2.C2H2O4/c1-2-24-18-7-5-16(6-8-18)15-21-10-12-22(13-11-21)19(23)17-4-3-9-20-14-17;3-1(4)2(5)6/h3-9,14H,2,10-13,15H2,1H3;(H,3,4)(H,5,6)