ethyl (2S)-2-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: ethyl (2S)-2-[4-(5-bromanylfuran-2-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: ethyl (2S)-2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: (2S)-2-[4-[(5-bromo-2-furanyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: (2S)-2-[4-(5-bromo-2-furoyl)piperazino]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C19H20BrClN2O4 MolecularWeight: 455.7301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H20BrClN2O4/c1-2-26-19(25)17(13-3-5-14(21)6-4-13)22-9-11-23(12-10-22)18(24)15-7-8-16(20)27-15/h3-8,17H,2,9-12H2,1H3/t17-/m0/s1