methyl 5-tert-butyl-2-(phenylmethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-2-(phenylmethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 2-benzyl-5-tert-butyl-1-(2-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-(phenylmethyl)-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-5-tert-butyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2-benzyl-5-tert-butyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid methyl ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N1CC2=CC=CC=N2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1CC2=CC=CC=N2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O2/c1-23(2,3)21-15-19(22(26)27-4)20(14-17-10-6-5-7-11-17)25(21)16-18-12-8-9-13-24-18/h5-13,15H,14,16H2,1-4H3