methyl 2-[4-[2-fluoranyl-4-(pentan-3-ylcarbamoyl)phenyl]piperazin-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[2-fluoranyl-4-(pentan-3-ylcarbamoyl)phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(1-ethylpropylcarbamoyl)-2-fluoro-phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[2-fluoro-4-[oxo-(pentan-3-ylamino)methyl]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[2-fluoro-4-(pentan-3-ylcarbamoyl)phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[4-(1-ethylpropylcarbamoyl)-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)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)OC)F

Isomeric SMILES

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

InChI

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