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

Systemtic Name: 2-methoxyethyl 2-[1-[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-(3-bromo-4-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[3-bromo-4-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isoamoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C21H29BrN2O6 MolecularWeight: 485.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCOC)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCOC)Br

InChI

InChI=1S/C21H29BrN2O6/c1-14(2)6-9-29-18-5-4-15(12-16(18)22)21(27)24-8-7-23-20(26)17(24)13-19(25)30-11-10-28-3/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,23,26)