(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3/c1-2-30-18-12-10-16(11-13-18)24-21-19(9-6-14-23-21)22(29)31-15-20-25-26-27-28(20)17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,23,24)