3-methylbutyl 2-[1-(3-bromanyl-4-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(3-bromanyl-4-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-bromo-4-propoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-propoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-bromo-4-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-propoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)Br

InChI

InChI=1S/C21H29BrN2O5/c1-4-10-28-18-6-5-15(12-16(18)22)21(27)24-9-8-23-20(26)17(24)13-19(25)29-11-7-14(2)3/h5-6,12,14,17H,4,7-11,13H2,1-3H3,(H,23,26)