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

Systemtic Name: methyl 2-[4-[4-(2-ethylbutanoylamino)-2-fluoranyl-phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(2-ethylbutanoylamino)-2-fluoro-phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[4-[(2-ethyl-1-oxobutyl)amino]-2-fluorophenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2-ethylbutanoylamino)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-(2-ethylbutanoylamino)-2-fluoro-phenyl]piperazino]-2-phenyl-acetic 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)C(C3=CC=CC=C3)C(=O)OC)F

Isomeric SMILES

CCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)OC)F

InChI

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