[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-2-3-17-32-22-11-9-20(10-12-22)25(31)26-18-24(30)33-19-23(29)28-15-13-27(14-16-28)21-7-5-4-6-8-21/h4-12H,2-3,13-19H2,1H3,(H,26,31)