2-[5-[2-(2,4-dipentylphenoxy)ethanoylamino]-3-oxidanylidene-1H-pyrazol-2-yl]ethyl 2-(2,4-dipentylphenoxy)ethanoate

Systemtic Name: 2-[5-[2-(2,4-dipentylphenoxy)ethanoylamino]-3-oxidanylidene-1H-pyrazol-2-yl]ethyl 2-(2,4-dipentylphenoxy)ethanoate Openeye Name: 2-[5-[[2-(2,4-dipentylphenoxy)acetyl]amino]-3-oxo-1H-pyrazol-2-yl]ethyl 2-(2,4-dipentylphenoxy)acetate CAS Name: 2-(2,4-dipentylphenoxy)acetic acid 2-[5-[[2-(2,4-dipentylphenoxy)-1-oxoethyl]amino]-3-oxo-1H-pyrazol-2-yl]ethyl ester IUPAC Name: 2-[5-[[2-(2,4-dipentylphenoxy)acetyl]amino]-3-oxo-1H-pyrazol-2-yl]ethyl 2-(2,4-dipentylphenoxy)acetate Traditional Name: 2-(2,4-diamylphenoxy)acetic acid 2-[3-[[2-(2,4-diamylphenoxy)acetyl]amino]-5-keto-3-pyrazolin-1-yl]ethyl ester Formula: C41H61N3O6 MolecularWeight: 691.93954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCC(=O)NC2=CC(=O)N(N2)CCOC(=O)COC3=C(C=C(C=C3)CCCCC)CCCCC)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCC(=O)NC2=CC(=O)N(N2)CCOC(=O)COC3=C(C=C(C=C3)CCCCC)CCCCC)CCCCC

InChI

InChI=1S/C41H61N3O6/c1-5-9-13-17-32-21-23-36(34(27-32)19-15-11-7-3)49-30-39(45)42-38-29-40(46)44(43-38)25-26-48-41(47)31-50-37-24-22-33(18-14-10-6-2)28-35(37)20-16-12-8-4/h21-24,27-29,43H,5-20,25-26,30-31H2,1-4H3,(H,42,45)