(phenylmethyl) 2-[1-[2-(2,4-ditert-butylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[2-(2,4-ditert-butylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[2-(2,4-ditert-butylphenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[2-(2,4-ditert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2,4-ditert-butylphenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O5/c1-28(2,3)21-12-13-24(22(16-21)29(4,5)6)35-19-25(32)31-15-14-30-27(34)23(31)17-26(33)36-18-20-10-8-7-9-11-20/h7-13,16,23H,14-15,17-19H2,1-6H3,(H,30,34)