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

Systemtic Name: 4-[[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]methyl]benzoic acid Openeye Name: 4-[[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]methyl]benzoic acid CAS Name: 4-[[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]methyl]benzoic acid IUPAC Name: 4-[[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]methyl]benzoic acid Traditional Name: 4-[[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]methyl]benzoic acid Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19ClN2O2/c1-14-11-18(15(2)24(14)20-9-7-19(22)8-10-20)13-23-12-16-3-5-17(6-4-16)21(25)26/h3-11,13H,12H2,1-2H3,(H,25,26)