2-phenoxyethanoic acid; N-(4-pyridin-4-ylpiperazin-1-yl)methanamide

Systemtic Name: 2-phenoxyethanoic acid; N-(4-pyridin-4-ylpiperazin-1-yl)methanamide Openeye Name: 2-phenoxyacetic acid; N-[4-(4-pyridyl)piperazin-1-yl]formamide CAS Name: 2-phenoxyacetic acid; N-(4-pyridin-4-yl-1-piperazinyl)formamide IUPAC Name: 2-phenoxyacetic acid; N-(4-pyridin-4-ylpiperazin-1-yl)formamide Traditional Name: 2-phenoxyacetic acid; N-[4-(4-pyridyl)piperazino]formamide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)NC=O.C1=CC=C(C=C1)OCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)NC=O.C1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C10H14N4O.C8H8O3/c15-9-12-14-7-5-13(6-8-14)10-1-3-11-4-2-10;9-8(10)6-11-7-4-2-1-3-5-7/h1-4,9H,5-8H2,(H,12,15);1-5H,6H2,(H,9,10)