(phenylmethyl) 4-(6-ethoxy-6-oxidanylidene-hexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-ethoxy-6-oxidanylidene-hexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(6-ethoxy-6-oxo-hexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(6-ethoxy-1,6-dioxohexyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-ethoxy-6-oxohexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(6-ethoxy-6-keto-hexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H27NO5/c1-4-27-19(25)13-9-8-12-18(24)20-15(2)21(23-16(20)3)22(26)28-14-17-10-6-5-7-11-17/h5-7,10-11,23H,4,8-9,12-14H2,1-3H3