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

Systemtic Name: dodecyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 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)C(C)CC)Br

Isomeric SMILES

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

InChI

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