[4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C20H17N5O2/c1-13(2)19-11-17(16-5-3-4-6-18(16)22-19)20(26)27-15-9-7-14(8-10-15)25-12-21-23-24-25/h3-13H,1-2H3