butyl 2-[3-oxidanylidene-1-[3-(2-phenoxyethoxy)phenyl]carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[3-oxidanylidene-1-[3-(2-phenoxyethoxy)phenyl]carbonyl-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetic acid butyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6/c1-2-3-14-33-23(28)18-22-24(29)26-12-13-27(22)25(30)19-8-7-11-21(17-19)32-16-15-31-20-9-5-4-6-10-20/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,26,29)