[3-(3-hexyl-4-oxidanylidene-oxetan-2-yl)phenyl]methyl N-butylcarbamate

Systemtic Name: [3-(3-hexyl-4-oxidanylidene-oxetan-2-yl)phenyl]methyl N-butylcarbamate Openeye Name: [3-(3-hexyl-4-oxo-oxetan-2-yl)phenyl]methyl N-butylcarbamate CAS Name: N-butylcarbamic acid [3-(3-hexyl-4-oxo-2-oxetanyl)phenyl]methyl ester IUPAC Name: [3-(3-hexyl-4-oxooxetan-2-yl)phenyl]methyl N-butylcarbamate Traditional Name: N-butylcarbamic acid [3-(3-hexyl-4-keto-oxetan-2-yl)benzyl] ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)C2=CC(=CC=C2)COC(=O)NCCCC

Isomeric SMILES

CCCCCCC1C(OC1=O)C2=CC(=CC=C2)COC(=O)NCCCC

InChI

InChI=1S/C21H31NO4/c1-3-5-7-8-12-18-19(26-20(18)23)17-11-9-10-16(14-17)15-25-21(24)22-13-6-4-2/h9-11,14,18-19H,3-8,12-13,15H2,1-2H3,(H,22,24)