3,5-bis(2,5-dimethylpyrrol-1-yl)benzoic acid

Systemtic Name: 3,5-bis(2,5-dimethylpyrrol-1-yl)benzoic acid Openeye Name: 3,5-bis(2,5-dimethylpyrrol-1-yl)benzoic acid CAS Name: 3,5-bis(2,5-dimethyl-1-pyrrolyl)benzoic acid IUPAC Name: 3,5-bis(2,5-dimethylpyrrol-1-yl)benzoic acid Traditional Name: 3,5-bis(2,5-dimethylpyrrol-1-yl)benzoic acid Formula: C19H20N2O2 MolecularWeight: 308.3743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)O)N3C(=CC=C3C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)O)N3C(=CC=C3C)C)C

InChI

InChI=1S/C19H20N2O2/c1-12-5-6-13(2)20(12)17-9-16(19(22)23)10-18(11-17)21-14(3)7-8-15(21)4/h5-11H,1-4H3,(H,22,23)