dodecyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(5-bromo-2-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[5-bromo-2-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-isoamoxy-benzoyl)-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)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C30H47BrN2O5/c1-4-5-6-7-8-9-10-11-12-13-19-38-28(34)22-26-29(35)32-17-18-33(26)30(36)25-21-24(31)14-15-27(25)37-20-16-23(2)3/h14-15,21,23,26H,4-13,16-20,22H2,1-3H3,(H,32,35)