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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O2/c1-4-17-8-10-21(11-9-17)24-15(2)12-19(16(24)3)14-23-20-7-5-6-18(13-20)22(25)26/h5-14H,4H2,1-3H3,(H,25,26)