ethyl 9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-(hydroxymethyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-methylol-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)CO)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)CO)OCC1

InChI

InChI=1S/C14H16O4/c1-2-17-14(16)11-6-7-18-13-10(8-11)4-3-5-12(13)9-15/h3-5,8,15H,2,6-7,9H2,1H3