(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-16-13-20(17(2)26(16)14-18-9-5-3-6-10-18)22(28)29-15-21-23-24-25-27(21)19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3