(phenylmethyl) 2-[1-(4-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(4-hexoxyphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(4-hexoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-hexoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-2-3-4-8-17-32-22-13-11-21(12-14-22)26(31)28-16-15-27-25(30)23(28)18-24(29)33-19-20-9-6-5-7-10-20/h5-7,9-14,23H,2-4,8,15-19H2,1H3,(H,27,30)