4-[3-[(3,4-dimethylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[(3,4-dimethylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[(3,4-dimethylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[(3,4-dimethylphenyl)iminomethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[(3,4-dimethylphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(3,4-dimethylphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C22H22N2O2/c1-14-5-8-20(11-15(14)2)23-13-19-12-16(3)24(17(19)4)21-9-6-18(7-10-21)22(25)26/h5-13H,1-4H3,(H,25,26)