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

Systemtic Name: ethyl 2-[4-[4-(2-ethylbutanoylamino)-2-fluoranyl-phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H34FN3O3 MolecularWeight: 455.564863

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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)OCC)F

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O3/c1-4-19(5-2)25(31)28-21-12-13-23(22(27)18-21)29-14-16-30(17-15-29)24(26(32)33-6-3)20-10-8-7-9-11-20/h7-13,18-19,24H,4-6,14-17H2,1-3H3,(H,28,31)