4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-ethyl-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-ethyl-pyrrol-2-yl]benzoic acid Openeye Name: 4-[3-(5,6-diisopropylpyrazin-2-yl)-1-ethyl-pyrrol-2-yl]benzoic acid CAS Name: 4-[3-[5,6-di(propan-2-yl)-2-pyrazinyl]-1-ethyl-2-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-ethylpyrrol-2-yl]benzoic acid Traditional Name: 4-[3-(5,6-diisopropylpyrazin-2-yl)-1-ethyl-pyrrol-2-yl]benzoic acid Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1C2=CC=C(C=C2)C(=O)O)C3=CN=C(C(=N3)C(C)C)C(C)C

Isomeric SMILES

CCN1C=CC(=C1C2=CC=C(C=C2)C(=O)O)C3=CN=C(C(=N3)C(C)C)C(C)C

InChI

InChI=1S/C23H27N3O2/c1-6-26-12-11-18(22(26)16-7-9-17(10-8-16)23(27)28)19-13-24-20(14(2)3)21(25-19)15(4)5/h7-15H,6H2,1-5H3,(H,27,28)