dodecyl 2-[1-[2-(2-butan-2-ylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[2-(2-butan-2-ylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-[2-(2-sec-butylphenoxy)acetyl]piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-butan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(2-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-sec-butylphenoxy)acetyl]piperazin-2-yl]acetic acid lauryl ester Formula: C30H48N2O5 MolecularWeight: 516.71252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=CC=C2C(C)CC

InChI

InChI=1S/C30H48N2O5/c1-4-6-7-8-9-10-11-12-13-16-21-36-29(34)22-26-30(35)31-19-20-32(26)28(33)23-37-27-18-15-14-17-25(27)24(3)5-2/h14-15,17-18,24,26H,4-13,16,19-23H2,1-3H3,(H,31,35)