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

Systemtic Name: (phenylmethyl) 2-[3-oxidanylidene-1-(4-pentoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(4-pentoxyphenyl)methyl]-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-oxo-1-(4-pentoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(4-amoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-2-3-7-16-31-21-12-10-20(11-13-21)25(30)27-15-14-26-24(29)22(27)17-23(28)32-18-19-8-5-4-6-9-19/h4-6,8-13,22H,2-3,7,14-18H2,1H3,(H,26,29)