ethanedioic acid; 1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[2-[2-(3-pyridyl)-1-piperidyl]ethoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-methoxy-4-[2-[2-(3-pyridinyl)-1-piperidinyl]ethoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-methoxy-4-[2-[2-(3-pyridyl)piperidino]ethoxy]phenyl]ethanone; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCN2CCCCC2C3=CN=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCN2CCCCC2C3=CN=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-16(24)17-8-9-20(21(14-17)25-2)26-13-12-23-11-4-3-7-19(23)18-6-5-10-22-15-18;3-1(4)2(5)6/h5-6,8-10,14-15,19H,3-4,7,11-13H2,1-2H3;(H,3,4)(H,5,6)