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

Systemtic Name: propyl 2-[(2S)-1-(2-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 2-[(2S)-1-(2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(2-hexoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5/c1-3-5-6-9-15-28-19-11-8-7-10-17(19)22(27)24-13-12-23-21(26)18(24)16-20(25)29-14-4-2/h7-8,10-11,18H,3-6,9,12-16H2,1-2H3,(H,23,26)/t18-/m0/s1