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

Systemtic Name: 4-[5-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-methyl-pyrrol-3-yl]benzoic acid Openeye Name: 4-[5-(5,6-diisopropylpyrazin-2-yl)-1-methyl-pyrrol-3-yl]benzoic acid CAS Name: 4-[5-[5,6-di(propan-2-yl)-2-pyrazinyl]-1-methyl-3-pyrrolyl]benzoic acid IUPAC Name: 4-[5-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-methylpyrrol-3-yl]benzoic acid Traditional Name: 4-[5-(5,6-diisopropylpyrazin-2-yl)-1-methyl-pyrrol-3-yl]benzoic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(N=C1C(C)C)C2=CC(=CN2C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=NC=C(N=C1C(C)C)C2=CC(=CN2C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25N3O2/c1-13(2)20-21(14(3)4)24-18(11-23-20)19-10-17(12-25(19)5)15-6-8-16(9-7-15)22(26)27/h6-14H,1-5H3,(H,26,27)