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

Systemtic Name: methyl 2-[4-[2-fluoranyl-4-[(2-methylphenyl)carbonylamino]phenyl]piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[2-fluoro-4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[2-fluoro-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[2-fluoro-4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-[2-fluoro-4-(o-toluoylamino)phenyl]piperazino]-2-phenyl-acetic acid methyl ester Formula: C27H28FN3O3 MolecularWeight: 461.527923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)OC)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)OC)F

InChI

InChI=1S/C27H28FN3O3/c1-19-8-6-7-11-22(19)26(32)29-21-12-13-24(23(28)18-21)30-14-16-31(17-15-30)25(27(33)34-2)20-9-4-3-5-10-20/h3-13,18,25H,14-17H2,1-2H3,(H,29,32)