[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C22H24N4O3/c1-22(2,3)18-8-10-19(11-9-18)25-20(27)13-29-21(28)17-6-4-16(5-7-17)12-26-15-23-14-24-26/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)