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

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

Isomeric SMILES

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

InChI

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