ethyl 2-[(2S)-3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[oxo-(4-pentoxyphenyl)methyl]-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(4-amoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC

InChI

InChI=1S/C20H28N2O5/c1-3-5-6-13-27-16-9-7-15(8-10-16)20(25)22-12-11-21-19(24)17(22)14-18(23)26-4-2/h7-10,17H,3-6,11-14H2,1-2H3,(H,21,24)/t17-/m0/s1