[2-(3-hexyl-4-oxidanylidene-oxetan-2-yl)-1-(4-phenoxyphenyl)ethyl] 2-formamido-4-methyl-pentanoate

Systemtic Name: [2-(3-hexyl-4-oxidanylidene-oxetan-2-yl)-1-(4-phenoxyphenyl)ethyl] 2-formamido-4-methyl-pentanoate Openeye Name: [2-(3-hexyl-4-oxo-oxetan-2-yl)-1-(4-phenoxyphenyl)ethyl] 2-formamido-4-methyl-pentanoate CAS Name: 2-formamido-4-methylpentanoic acid [2-(3-hexyl-4-oxo-2-oxetanyl)-1-(4-phenoxyphenyl)ethyl] ester IUPAC Name: [2-(3-hexyl-4-oxooxetan-2-yl)-1-(4-phenoxyphenyl)ethyl] 2-formamido-4-methylpentanoate Traditional Name: 2-formamido-4-methyl-valeric acid [2-(3-hexyl-4-keto-oxetan-2-yl)-1-(4-phenoxyphenyl)ethyl] ester Formula: C30H39NO6 MolecularWeight: 509.63376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)CC(C2=CC=C(C=C2)OC3=CC=CC=C3)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

CCCCCCC1C(OC1=O)CC(C2=CC=C(C=C2)OC3=CC=CC=C3)OC(=O)C(CC(C)C)NC=O

InChI

InChI=1S/C30H39NO6/c1-4-5-6-10-13-25-28(37-29(25)33)19-27(36-30(34)26(31-20-32)18-21(2)3)22-14-16-24(17-15-22)35-23-11-8-7-9-12-23/h7-9,11-12,14-17,20-21,25-28H,4-6,10,13,18-19H2,1-3H3,(H,31,32)