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

Systemtic Name: 3-methylbutyl 2-[1-[3-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-isopentyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[3-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-isoamoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C23H34N2O5/c1-16(2)8-12-29-19-7-5-6-18(14-19)23(28)25-11-10-24-22(27)20(25)15-21(26)30-13-9-17(3)4/h5-7,14,16-17,20H,8-13,15H2,1-4H3,(H,24,27)