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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=CC(=C3)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=CC(=C3)C(=O)O)C)C

InChI

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