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

Systemtic Name: ethyl 9-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(2-methylolphenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC(=C2OCC1)C3=CC=CC=C3CO

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC(=C2OCC1)C3=CC=CC=C3CO

InChI

InChI=1S/C20H20O4/c1-2-23-20(22)15-10-11-24-19-14(12-15)7-5-9-18(19)17-8-4-3-6-16(17)13-21/h3-9,12,21H,2,10-11,13H2,1H3