(phenylmethyl) N-[3-(5-oxidanyl-3-oxidanylidene-4-undec-2-enoyl-1,2-dihydropyrrol-2-yl)propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(5-oxidanyl-3-oxidanylidene-4-undec-2-enoyl-1,2-dihydropyrrol-2-yl)propyl]carbamate Openeye Name: benzyl N-[3-(5-hydroxy-3-oxo-4-undec-2-enoyl-1,2-dihydropyrrol-2-yl)propyl]carbamate CAS Name: N-[3-[5-hydroxy-3-oxo-4-(1-oxoundec-2-enyl)-1,2-dihydropyrrol-2-yl]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(5-hydroxy-3-oxo-4-undec-2-enoyl-1,2-dihydropyrrol-2-yl)propyl]carbamate Traditional Name: N-[3-(5-hydroxy-3-keto-4-undec-2-enoyl-2-pyrrolin-2-yl)propyl]carbamic acid benzyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)C1=C(NC(C1=O)CCCNC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCC=CC(=O)C1=C(NC(C1=O)CCCNC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C26H36N2O5/c1-2-3-4-5-6-7-8-12-17-22(29)23-24(30)21(28-25(23)31)16-13-18-27-26(32)33-19-20-14-10-9-11-15-20/h9-12,14-15,17,21,28,31H,2-8,13,16,18-19H2,1H3,(H,27,32)