butan-2-yl 2-[1-[3-(2-ethoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[3-(2-ethoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[3-(2-ethoxyethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(2-ethoxyethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[3-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-(2-ethoxyethoxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCOCC

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OCCOCC

InChI

InChI=1S/C21H30N2O6/c1-4-15(3)29-19(24)14-18-20(25)22-9-10-23(18)21(26)16-7-6-8-17(13-16)28-12-11-27-5-2/h6-8,13,15,18H,4-5,9-12,14H2,1-3H3,(H,22,25)