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

Systemtic Name: phenethyl 2-[1-[2-(2,4-ditert-butylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O5/c1-29(2,3)22-12-13-25(23(18-22)30(4,5)6)37-20-26(33)32-16-15-31-28(35)24(32)19-27(34)36-17-14-21-10-8-7-9-11-21/h7-13,18,24H,14-17,19-20H2,1-6H3,(H,31,35)