ethyl 3-methyl-6-oxidanyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylate

Systemtic Name: ethyl 3-methyl-6-oxidanyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylate Openeye Name: ethyl 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylate CAS Name: 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepin-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylate Traditional Name: 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepin-7-carboxylic acid ethyl ester Formula: C22H24O4 MolecularWeight: 352.42356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1CCC3=CC=CC=C3)OCC(=CC2)C)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1CCC3=CC=CC=C3)OCC(=CC2)C)O

InChI

InChI=1S/C22H24O4/c1-3-25-22(24)20-17(11-10-16-7-5-4-6-8-16)13-19-18(21(20)23)12-9-15(2)14-26-19/h4-9,13,23H,3,10-12,14H2,1-2H3