ethyl 3-(2-dodecan-2-ylphenyl)-3-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)propanoate

Systemtic Name: ethyl 3-(2-dodecan-2-ylphenyl)-3-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)propanoate Openeye Name: ethyl 3-[2-(1-methylundecyl)phenyl]-3-oxo-2-(2H-tetrazol-5-yl)propanoate CAS Name: 3-(2-dodecan-2-ylphenyl)-3-oxo-2-(2H-tetrazol-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-dodecan-2-ylphenyl)-3-oxo-2-(2H-tetrazol-5-yl)propanoate Traditional Name: 3-keto-3-[2-(1-methylundecyl)phenyl]-2-(2H-tetrazol-5-yl)propionic acid ethyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C1=CC=CC=C1C(=O)C(C2=NNN=N2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC(C)C1=CC=CC=C1C(=O)C(C2=NNN=N2)C(=O)OCC

InChI

InChI=1S/C24H36N4O3/c1-4-6-7-8-9-10-11-12-15-18(3)19-16-13-14-17-20(19)22(29)21(24(30)31-5-2)23-25-27-28-26-23/h13-14,16-18,21H,4-12,15H2,1-3H3,(H,25,26,27,28)