ethyl 5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C22H28FN3O4/c1-5-30-22(28)19-14(2)20(24-15(19)3)21(27)26-10-8-25(9-11-26)13-16-6-7-18(29-4)17(23)12-16/h6-7,12,24H,5,8-11,13H2,1-4H3