[3-(2-methyl-4-oxidanylidene-but-3-enyl)-4-(phenylmethyl)-1,3-oxazolidin-5-yl] 2-ethylhexanoate

Systemtic Name: [3-(2-methyl-4-oxidanylidene-but-3-enyl)-4-(phenylmethyl)-1,3-oxazolidin-5-yl] 2-ethylhexanoate Openeye Name: [4-benzyl-3-(2-methyl-4-oxo-but-3-enyl)oxazolidin-5-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [3-(2-methyl-4-oxobut-3-enyl)-4-(phenylmethyl)-5-oxazolidinyl] ester IUPAC Name: [4-benzyl-3-(2-methyl-4-oxobut-3-enyl)-1,3-oxazolidin-5-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [4-benzyl-3-(4-keto-2-methyl-but-3-enyl)oxazolidin-5-yl] ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1C(N(CO1)CC(C)C=C=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)C(=O)OC1C(N(CO1)CC(C)C=C=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H33NO4/c1-4-6-12-20(5-2)22(26)28-23-21(15-19-10-8-7-9-11-19)24(17-27-23)16-18(3)13-14-25/h7-11,13,18,20-21,23H,4-6,12,15-17H2,1-3H3