[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)15-8-10-16(11-9-15)28-13-12-23-19(26)14-29-21(27)20-17-6-4-5-7-18(17)24-25-20/h4-11H,12-14H2,1-3H3,(H,23,26)(H,24,25)