ethyl 2-[(2S)-1-(2-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-1-(2-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-(2-hexoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(2-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-(2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(2-hexoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)C2CC(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-3-5-6-9-14-28-18-11-8-7-10-16(18)21(26)23-13-12-22-20(25)17(23)15-19(24)27-4-2/h7-8,10-11,17H,3-6,9,12-15H2,1-2H3,(H,22,25)/t17-/m0/s1