3-phenylpropyl 2-[1-[2-(4-tert-butylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-(4-tert-butylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(4-tert-butylphenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-tert-butylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(4-tert-butylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-tert-butylphenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H36N2O5/c1-20(35-23-14-12-22(13-15-23)28(2,3)4)27(33)30-17-16-29-26(32)24(30)19-25(31)34-18-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-15,20,24H,8,11,16-19H2,1-4H3,(H,29,32)