butyl 2-[(2S)-1-[4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-[4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(4-isopentyloxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[4-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[4-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-isoamoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C22H32N2O5/c1-4-5-13-29-20(25)15-19-21(26)23-11-12-24(19)22(27)17-6-8-18(9-7-17)28-14-10-16(2)3/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,26)/t19-/m0/s1