[14-(2-aminocarbonyl-2,3-dihydropyrrol-1-yl)-13-oxidanyl-14-oxidanylidene-tetradecan-7-yl] benzoate

Systemtic Name: [14-(2-aminocarbonyl-2,3-dihydropyrrol-1-yl)-13-oxidanyl-14-oxidanylidene-tetradecan-7-yl] benzoate Openeye Name: [8-(2-carbamoyl-2,3-dihydropyrrol-1-yl)-1-hexyl-7-hydroxy-8-oxo-octyl] benzoate CAS Name: benzoic acid [14-(2-carbamoyl-2,3-dihydropyrrol-1-yl)-13-hydroxy-14-oxotetradecan-7-yl] ester IUPAC Name: [14-(2-carbamoyl-2,3-dihydropyrrol-1-yl)-13-hydroxy-14-oxotetradecan-7-yl] benzoate Traditional Name: benzoic acid [8-(2-carbamoyl-2-pyrrolin-1-yl)-1-hexyl-7-hydroxy-8-keto-octyl] ester Formula: C26H38N2O5 MolecularWeight: 458.59032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC(C(=O)N1C=CCC1C(=O)N)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(CCCCCC(C(=O)N1C=CCC1C(=O)N)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H38N2O5/c1-2-3-4-9-15-21(33-26(32)20-13-7-5-8-14-20)16-10-6-11-18-23(29)25(31)28-19-12-17-22(28)24(27)30/h5,7-8,12-14,19,21-23,29H,2-4,6,9-11,15-18H2,1H3,(H2,27,30)