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

Systemtic Name: 3-phenylpropyl 2-[1-[2-(2,4-ditert-butylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C31H42N2O5 MolecularWeight: 522.67558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C31H42N2O5/c1-30(2,3)23-14-15-26(24(19-23)31(4,5)6)38-21-27(34)33-17-16-32-29(36)25(33)20-28(35)37-18-10-13-22-11-8-7-9-12-22/h7-9,11-12,14-15,19,25H,10,13,16-18,20-21H2,1-6H3,(H,32,36)