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

Systemtic Name: dodecyl 2-[1-[3-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-isobutoxybenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[3-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-isobutoxybenzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C29H46N2O5 MolecularWeight: 502.68594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O5/c1-4-5-6-7-8-9-10-11-12-13-19-35-27(32)21-26-28(33)30-17-18-31(26)29(34)24-15-14-16-25(20-24)36-22-23(2)3/h14-16,20,23,26H,4-13,17-19,21-22H2,1-3H3,(H,30,33)