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

Systemtic Name: pentyl 2-[1-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[2-(4-bromo-2-isopropyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-isopropyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C(C)C

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C(C)C

InChI

InChI=1S/C22H31BrN2O5/c1-4-5-6-11-29-21(27)13-18-22(28)24-9-10-25(18)20(26)14-30-19-8-7-16(23)12-17(19)15(2)3/h7-8,12,15,18H,4-6,9-11,13-14H2,1-3H3,(H,24,28)