2-methylpropyl 2-[1-(5-bromanyl-2-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-(5-bromanyl-2-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-(5-bromo-2-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-(5-bromo-2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C18H23BrN2O5/c1-11(2)10-26-16(22)9-14-17(23)20-6-7-21(14)18(24)13-8-12(19)4-5-15(13)25-3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H,20,23)