[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-yl]methyl N-pentylcarbamate

Systemtic Name: [4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-yl]methyl N-pentylcarbamate Openeye Name: [4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzoxepin-4-yl]methyl N-pentylcarbamate CAS Name: N-pentylcarbamic acid [4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzoxepin-4-yl]methyl ester IUPAC Name: [4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzoxepin-4-yl]methyl N-pentylcarbamate Traditional Name: N-amylcarbamic acid (5-keto-4-methylol-2,3-dihydro-1-benzoxepin-4-yl)methyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OCC1(CCOC2=CC=CC=C2C1=O)CO

Isomeric SMILES

CCCCCNC(=O)OCC1(CCOC2=CC=CC=C2C1=O)CO

InChI

InChI=1S/C18H25NO5/c1-2-3-6-10-19-17(22)24-13-18(12-20)9-11-23-15-8-5-4-7-14(15)16(18)21/h4-5,7-8,20H,2-3,6,9-13H2,1H3,(H,19,22)