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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C21H29BrN2O6/c1-3-4-5-10-30-19(25)14-17-20(26)23-8-9-24(17)21(27)15-6-7-18(16(22)13-15)29-12-11-28-2/h6-7,13,17H,3-5,8-12,14H2,1-2H3,(H,23,26)