(1-propyl-1,2,3,4-tetrazol-5-yl)methyl (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-2-10-25-19(22-23-24-25)13-28-20(26)15-8-9-17-16(11-15)12-18(29-21(17)27)14-6-4-3-5-7-14/h3-9,11,18H,2,10,12-13H2,1H3/t18-/m0/s1