ethyl 4-[3-fluoranyl-5-[[4-[methyl-(2-methylpyrrolidin-1-yl)carbonyl-amino]phenyl]methoxy]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-fluoranyl-5-[[4-[methyl-(2-methylpyrrolidin-1-yl)carbonyl-amino]phenyl]methoxy]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-fluoro-5-[[4-[methyl-(2-methylpyrrolidine-1-carbonyl)amino]phenyl]methoxy]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-fluoro-5-[[4-[methyl-[(2-methyl-1-pyrrolidinyl)-oxomethyl]amino]phenyl]methoxy]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-fluoro-5-[[4-[methyl-(2-methylpyrrolidine-1-carbonyl)amino]phenyl]methoxy]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-fluoro-5-[4-[methyl-(2-methylpyrrolidine-1-carbonyl)amino]benzyl]oxy-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H35FN4O4 MolecularWeight: 498.589603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)F)OCC3=CC=C(C=C3)N(C)C(=O)N4CCCC4C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)F)OCC3=CC=C(C=C3)N(C)C(=O)N4CCCC4C

InChI

InChI=1S/C27H35FN4O4/c1-4-35-27(34)31-14-12-30(13-15-31)24-16-22(28)17-25(18-24)36-19-21-7-9-23(10-8-21)29(3)26(33)32-11-5-6-20(32)2/h7-10,16-18,20H,4-6,11-15,19H2,1-3H3