2-[2-[3-(3-butylphenyl)pyrazin-2-yl]ethyl]pentanoic acid

Systemtic Name: 2-[2-[3-(3-butylphenyl)pyrazin-2-yl]ethyl]pentanoic acid Openeye Name: 2-[2-[3-(3-butylphenyl)pyrazin-2-yl]ethyl]pentanoic acid CAS Name: 2-[2-[3-(3-butylphenyl)-2-pyrazinyl]ethyl]pentanoic acid IUPAC Name: 2-[2-[3-(3-butylphenyl)pyrazin-2-yl]ethyl]pentanoic acid Traditional Name: 2-[2-[3-(3-butylphenyl)pyrazin-2-yl]ethyl]valeric acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)O

InChI

InChI=1S/C21H28N2O2/c1-3-5-8-16-9-6-10-18(15-16)20-19(22-13-14-23-20)12-11-17(7-4-2)21(24)25/h6,9-10,13-15,17H,3-5,7-8,11-12H2,1-2H3,(H,24,25)