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4-[2,5-dimethyl-3-[(4-morpholin-4-ylphenyl)iminomethyl]pyrrol-1-yl]-3-methyl-benzoic acid
4-[2,5-dimethyl-3-[(4-morpholin-4-ylphenyl)iminomethyl]pyrrol-1-yl]-3-methyl-benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=NC3=CC=C(C=C3)N4CCOCC4
Isomeric SMILES
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C25H27N3O3/c1-17-14-20(25(29)30)4-9-24(17)28-18(2)15-21(19(28)3)16-26-22-5-7-23(8-6-22)27-10-12-31-13-11-27/h4-9,14-16H,10-13H2,1-3H3,(H,29,30)
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