(phenylmethyl) 4-(10-ethoxy-10-oxidanylidene-decanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(10-ethoxy-10-oxidanylidene-decanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(10-ethoxy-10-oxo-decanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(10-ethoxy-1,10-dioxodecyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(10-ethoxy-10-oxodecanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(10-ethoxy-10-keto-decanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5/c1-4-31-23(29)17-13-8-6-5-7-12-16-22(28)24-19(2)25(27-20(24)3)26(30)32-18-21-14-10-9-11-15-21/h9-11,14-15,27H,4-8,12-13,16-18H2,1-3H3