2-phenoxyethyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C26H31BrN2O6 MolecularWeight: 547.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN2O6/c1-3-18(2)19-9-10-23(21(27)15-19)35-17-24(30)29-12-11-28-26(32)22(29)16-25(31)34-14-13-33-20-7-5-4-6-8-20/h4-10,15,18,22H,3,11-14,16-17H2,1-2H3,(H,28,32)