methyl 2-[[4-[4-(2-ethylbutanoylamino)-2-fluoranyl-phenyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[4-(2-ethylbutanoylamino)-2-fluoranyl-phenyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[4-(2-ethylbutanoylamino)-2-fluoro-phenyl]piperazin-1-yl]methyl]benzoate CAS Name: 2-[[4-[4-[(2-ethyl-1-oxobutyl)amino]-2-fluorophenyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[4-(2-ethylbutanoylamino)-2-fluorophenyl]piperazin-1-yl]methyl]benzoate Traditional Name: 2-[[4-[4-(2-ethylbutanoylamino)-2-fluoro-phenyl]piperazino]methyl]benzoic acid methyl ester Formula: C25H32FN3O3 MolecularWeight: 441.538283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3C(=O)OC)F

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3C(=O)OC)F

InChI

InChI=1S/C25H32FN3O3/c1-4-18(5-2)24(30)27-20-10-11-23(22(26)16-20)29-14-12-28(13-15-29)17-19-8-6-7-9-21(19)25(31)32-3/h6-11,16,18H,4-5,12-15,17H2,1-3H3,(H,27,30)