ethyl 4-butyl-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-butyl-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-butyl-pyrrole-2-carboxylate CAS Name: 4-butyl-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-butylpyrrole-2-carboxylate Traditional Name: 1-benzyl-4-butyl-pyrrole-2-carboxylic acid ethyl ester Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CN(C(=C1)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C18H23NO2/c1-3-5-9-16-12-17(18(20)21-4-2)19(14-16)13-15-10-7-6-8-11-15/h6-8,10-12,14H,3-5,9,13H2,1-2H3