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

Systemtic Name: 5-[[1-(2-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[1-(2-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-hydroxy-benzoic acid CAS Name: 5-[[1-(2-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-hydroxybenzoic acid IUPAC Name: 5-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-hydroxybenzoic acid Traditional Name: 5-[[1-(2-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-hydroxy-benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=C2C)C=NC3=CC(=C(C=C3)O)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=C2C)C=NC3=CC(=C(C=C3)O)C(=O)O)C

InChI

InChI=1S/C22H22N2O3/c1-4-16-7-5-6-8-20(16)24-14(2)11-17(15(24)3)13-23-18-9-10-21(25)19(12-18)22(26)27/h5-13,25H,4H2,1-3H3,(H,26,27)