2-ethylhexyl 3-[3-[(4-cyano-2-methyl-pyrazol-3-yl)diazenyl]-2-methyl-indol-1-yl]propanoate

Systemtic Name: 2-ethylhexyl 3-[3-[(4-cyano-2-methyl-pyrazol-3-yl)diazenyl]-2-methyl-indol-1-yl]propanoate Openeye Name: 2-ethylhexyl 3-[3-(4-cyano-2-methyl-pyrazol-3-yl)azo-2-methyl-indol-1-yl]propanoate CAS Name: 3-[3-[(4-cyano-2-methyl-3-pyrazolyl)azo]-2-methyl-1-indolyl]propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-[3-[(4-cyano-2-methylpyrazol-3-yl)diazenyl]-2-methylindol-1-yl]propanoate Traditional Name: 3-[3-(4-cyano-2-methyl-pyrazol-3-yl)azo-2-methyl-indol-1-yl]propionic acid 2-ethylhexyl ester Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCN1C(=C(C2=CC=CC=C21)N=NC3=C(C=NN3C)C#N)C

Isomeric SMILES

CCCCC(CC)COC(=O)CCN1C(=C(C2=CC=CC=C21)N=NC3=C(C=NN3C)C#N)C

InChI

InChI=1S/C25H32N6O2/c1-5-7-10-19(6-2)17-33-23(32)13-14-31-18(3)24(21-11-8-9-12-22(21)31)28-29-25-20(15-26)16-27-30(25)4/h8-9,11-12,16,19H,5-7,10,13-14,17H2,1-4H3