(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C

InChI

InChI=1S/C21H21N5O3/c1-3-4-11-26-20(23-24-25-26)13-28-21(27)16-12-18(19-10-9-14(2)29-19)22-17-8-6-5-7-15(16)17/h5-10,12H,3-4,11,13H2,1-2H3