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

Systemtic Name: phenethyl 2-[3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-pentoxyphenyl)methyl]-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-amoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-2-3-7-17-32-22-12-10-21(11-13-22)26(31)28-16-15-27-25(30)23(28)19-24(29)33-18-14-20-8-5-4-6-9-20/h4-6,8-13,23H,2-3,7,14-19H2,1H3,(H,27,30)