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

Systemtic Name: methyl 5-tert-butyl-2-phenethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-5-tert-butyl-2-phenethyl-pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-phenethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-tert-butyl-2-phenethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-5-tert-butyl-2-phenethyl-pyrrole-3-carboxylic acid methyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N1CC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1CC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H29NO2/c1-25(2,3)23-17-21(24(27)28-4)22(16-15-19-11-7-5-8-12-19)26(23)18-20-13-9-6-10-14-20/h5-14,17H,15-16,18H2,1-4H3