7-[(4-pyrazin-2-ylphenyl)methylamino]heptanoic acid

Systemtic Name: 7-[(4-pyrazin-2-ylphenyl)methylamino]heptanoic acid Openeye Name: 7-[(4-pyrazin-2-ylphenyl)methylamino]heptanoic acid CAS Name: 7-[[4-(2-pyrazinyl)phenyl]methylamino]heptanoic acid IUPAC Name: 7-[(4-pyrazin-2-ylphenyl)methylamino]heptanoic acid Traditional Name: 7-[(4-pyrazin-2-ylbenzyl)amino]enanthic acid Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCCCCC(=O)O)C2=NC=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CNCCCCCCC(=O)O)C2=NC=CN=C2

InChI

InChI=1S/C18H23N3O2/c22-18(23)5-3-1-2-4-10-19-13-15-6-8-16(9-7-15)17-14-20-11-12-21-17/h6-9,11-12,14,19H,1-5,10,13H2,(H,22,23)