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

Systemtic Name: 4-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid hydrochloride Openeye Name: 4-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid hydrochloride CAS Name: 4-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid hydrochloride IUPAC Name: 4-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid hydrochloride Traditional Name: 4-[[1-(4-carbethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid hydrochloride Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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