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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-phenylquinoline-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (1-butyltetrazol-5-yl)methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c1-2-3-13-27-21(24-25-26-27)15-29-22(28)18-14-20(16-9-5-4-6-10-16)23-19-12-8-7-11-17(18)19/h4-12,14H,2-3,13,15H2,1H3