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

Systemtic Name: 3-methylbutyl 2-[1-[3-(2-ethoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C22H32N2O6/c1-4-28-12-13-29-18-7-5-6-17(14-18)22(27)24-10-9-23-21(26)19(24)15-20(25)30-11-8-16(2)3/h5-7,14,16,19H,4,8-13,15H2,1-3H3,(H,23,26)