dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate

Systemtic Name: dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate Openeye Name: dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate Traditional Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]malonic acid dimethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C17H19NO4/c1-11-5-6-12(2)18(11)14-9-7-13(8-10-14)15(16(19)21-3)17(20)22-4/h5-10,15H,1-4H3