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

Systemtic Name: dodecyl 2-[1-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C29H45BrN2O5 MolecularWeight: 581.582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45BrN2O5/c1-4-5-6-7-8-9-10-11-12-13-18-36-28(34)20-25-29(35)31-16-17-32(25)27(33)21-37-26-15-14-23(30)19-24(26)22(2)3/h14-15,19,22,25H,4-13,16-18,20-21H2,1-3H3,(H,31,35)