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

Systemtic Name: dodecyl 2-[1-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C30H47BrN2O5 MolecularWeight: 595.60858

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C30H47BrN2O5/c1-5-6-7-8-9-10-11-12-13-14-19-37-28(35)21-25-29(36)32-17-18-33(25)27(34)22-38-26-16-15-23(31)20-24(26)30(2,3)4/h15-16,20,25H,5-14,17-19,21-22H2,1-4H3,(H,32,36)