ethyl 5-hexyl-2-(phenylmethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-hexyl-2-(phenylmethyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-benzyl-5-hexyl-1H-pyrrole-3-carboxylate CAS Name: 5-hexyl-2-(phenylmethyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-hexyl-1H-pyrrole-3-carboxylate Traditional Name: 2-benzyl-5-hexyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(N1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC(=C(N1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H27NO2/c1-3-5-6-10-13-17-15-18(20(22)23-4-2)19(21-17)14-16-11-8-7-9-12-16/h7-9,11-12,15,21H,3-6,10,13-14H2,1-2H3