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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5/c1-3-5-7-15-28-18-10-8-17(9-11-18)22(27)24-13-12-23-21(26)19(24)16-20(25)29-14-6-4-2/h8-11,19H,3-7,12-16H2,1-2H3,(H,23,26)/t19-/m0/s1