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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C)C(=O)OC

InChI

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