dimethyl 1-butyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-butyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-benzyl-1-butyl-5-methyl-pyrrole-3,4-dicarboxylate CAS Name: 1-butyl-2-methyl-5-(phenylmethyl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-benzyl-1-butyl-5-methylpyrrole-3,4-dicarboxylate Traditional Name: 2-benzyl-1-butyl-5-methyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C20H25NO4/c1-5-6-12-21-14(2)17(19(22)24-3)18(20(23)25-4)16(21)13-15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3