ethyl 1-methyl-3-[(3-methylphenoxy)methyl]-5-[(2-methylpropan-2-yl)oxymethyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1-methyl-3-[(3-methylphenoxy)methyl]-5-[(2-methylpropan-2-yl)oxymethyl]pyrrole-2-carboxylate Openeye Name: ethyl 5-(tert-butoxymethyl)-1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2-carboxylate CAS Name: 1-methyl-3-[(3-methylphenoxy)methyl]-5-[(2-methylpropan-2-yl)oxymethyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-[(3-methylphenoxy)methyl]-5-[(2-methylpropan-2-yl)oxymethyl]pyrrole-2-carboxylate Traditional Name: 5-(tert-butoxymethyl)-1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2-carboxylic acid ethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N1C)COC(C)(C)C)COC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(N1C)COC(C)(C)C)COC2=CC=CC(=C2)C

InChI

InChI=1S/C21H29NO4/c1-7-24-20(23)19-16(13-25-18-10-8-9-15(2)11-18)12-17(22(19)6)14-26-21(3,4)5/h8-12H,7,13-14H2,1-6H3