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

Systemtic Name: butyl 2-[(2S)-1-[4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(4-isobutoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-isobutoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-4-5-12-27-19(24)13-18-20(25)22-10-11-23(18)21(26)16-6-8-17(9-7-16)28-14-15(2)3/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,22,25)/t18-/m0/s1