5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-isopropylphenyl)triazole-4-carboxylate CAS Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-propan-2-ylphenyl)-4-triazolecarboxylate IUPAC Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-(4-propan-2-ylphenyl)triazole-4-carboxylate Traditional Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-p-cumenyl-triazole-4-carboxylate Formula: C20H18N3O4- MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O4/c1-12(2)13-7-9-14(10-8-13)23-19(18(20(24)25)21-22-23)17-11-26-15-5-3-4-6-16(15)27-17/h3-10,12,17H,11H2,1-2H3,(H,24,25)/p-1/t17-/m1/s1