3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid

Systemtic Name: 3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid Openeye Name: 3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid CAS Name: 3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid IUPAC Name: 3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid Traditional Name: 3-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propionic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=NC=CN=C3N2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=NC=CN=C3N2)CCC(=O)O

InChI

InChI=1S/C19H21N3O2/c1-19(2,3)13-6-4-12(5-7-13)16-14(8-9-15(23)24)17-18(22-16)21-11-10-20-17/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)(H,23,24)