3-chloranylpropyl 2-methyl-3-oxidanyl-4,5-dihydro-3H-1-benzoxepine-2-carboxylate

Systemtic Name: 3-chloranylpropyl 2-methyl-3-oxidanyl-4,5-dihydro-3H-1-benzoxepine-2-carboxylate Openeye Name: 3-chloropropyl 3-hydroxy-2-methyl-4,5-dihydro-3H-1-benzoxepine-2-carboxylate CAS Name: 3-hydroxy-2-methyl-4,5-dihydro-3H-1-benzoxepin-2-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 3-hydroxy-2-methyl-4,5-dihydro-3H-1-benzoxepine-2-carboxylate Traditional Name: 3-hydroxy-2-methyl-4,5-dihydro-3H-1-benzoxepin-2-carboxylic acid 3-chloropropyl ester Formula: C15H19ClO4 MolecularWeight: 298.76196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC2=CC=CC=C2O1)O)C(=O)OCCCCl

Isomeric SMILES

CC1(C(CCC2=CC=CC=C2O1)O)C(=O)OCCCCl

InChI

InChI=1S/C15H19ClO4/c1-15(14(18)19-10-4-9-16)13(17)8-7-11-5-2-3-6-12(11)20-15/h2-3,5-6,13,17H,4,7-10H2,1H3