3-phenylpropyl 2-[1-[2-(2-butan-2-ylphenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

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