phenethyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O5/c1-4-20(3)22-13-9-10-14-25(22)35-24(5-2)28(33)30-17-16-29-27(32)23(30)19-26(31)34-18-15-21-11-7-6-8-12-21/h6-14,20,23-24H,4-5,15-19H2,1-3H3,(H,29,32)