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

Systemtic Name: 4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-methyl-pyrrol-2-yl]benzoic acid Openeye Name: 4-[3-(5,6-diisopropylpyrazin-2-yl)-1-methyl-pyrrol-2-yl]benzoic acid CAS Name: 4-[3-[5,6-di(propan-2-yl)-2-pyrazinyl]-1-methyl-2-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[5,6-di(propan-2-yl)pyrazin-2-yl]-1-methylpyrrol-2-yl]benzoic acid Traditional Name: 4-[3-(5,6-diisopropylpyrazin-2-yl)-1-methyl-pyrrol-2-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=C(N(C=C2)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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