(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (1-propyltetrazol-5-yl)methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N5O3/c1-3-12-27-21(24-25-26-27)14-30-22(28)18-13-20(15-8-10-16(29-2)11-9-15)23-19-7-5-4-6-17(18)19/h4-11,13H,3,12,14H2,1-2H3