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

Systemtic Name: 2-phenoxyethyl 2-[1-[2-(2-butan-2-ylphenoxy)butanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O6/c1-4-20(3)22-13-9-10-14-25(22)36-24(5-2)28(33)30-16-15-29-27(32)23(30)19-26(31)35-18-17-34-21-11-7-6-8-12-21/h6-14,20,23-24H,4-5,15-19H2,1-3H3,(H,29,32)