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

Systemtic Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 3-[[1-(4-carbethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4/c1-4-29-23(28)17-8-10-21(11-9-17)25-15(2)12-19(16(25)3)14-24-20-7-5-6-18(13-20)22(26)27/h5-14H,4H2,1-3H3,(H,26,27)