(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid (1-phenyltetrazol-5-yl)methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c26-19(17-10-9-15-5-4-6-16(15)13-17)11-12-21(27)28-14-20-22-23-24-25(20)18-7-2-1-3-8-18/h1-3,7-10,13H,4-6,11-12,14H2