ethyl 5-(2-ethoxy-2-oxidanylidene-ethyl)-4-hexyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-ethoxy-2-oxidanylidene-ethyl)-4-hexyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-(2-ethoxy-2-oxo-ethyl)-4-hexyl-pyrrole-3-carboxylate CAS Name: 5-(2-ethoxy-2-oxoethyl)-4-hexyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(2-ethoxy-2-oxoethyl)-4-hexylpyrrole-3-carboxylate Traditional Name: 1-benzyl-5-(2-ethoxy-2-keto-ethyl)-4-hexyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=C1C(=O)OCC)CC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCCCCCC1=C(N(C=C1C(=O)OCC)CC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C24H33NO4/c1-4-7-8-12-15-20-21(24(27)29-6-3)18-25(17-19-13-10-9-11-14-19)22(20)16-23(26)28-5-2/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3