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

Systemtic Name: 4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoic acid Openeye Name: 4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid CAS Name: 4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid IUPAC Name: 4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid Traditional Name: 4-[[1-(2-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20N2O4/c1-14-12-17(13-23-18-10-8-16(9-11-18)21(25)26)15(2)24(14)20-7-5-4-6-19(20)22(27)28-3/h4-13H,1-3H3,(H,25,26)