2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(2-pyrazinyl)phenyl]methylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-pyrazin-2-ylbenzyl)amino]methyl]phenyl]acetic acid Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)C3=NC=CN=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)C3=NC=CN=C3)CC(=O)O

InChI

InChI=1S/C20H19N3O2/c24-20(25)11-16-2-1-3-17(10-16)13-22-12-15-4-6-18(7-5-15)19-14-21-8-9-23-19/h1-10,14,22H,11-13H2,(H,24,25)