ethyl 4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-hydroxy-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclohexanecarboxylic acid ethyl ester Formula: C19H26O6 MolecularWeight: 350.40614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C2=C3C(=C(C=C2)OC)OCCCO3)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(C2=C3C(=C(C=C2)OC)OCCCO3)O

InChI

InChI=1S/C19H26O6/c1-3-23-18(20)13-7-9-19(21,10-8-13)14-5-6-15(22-2)17-16(14)24-11-4-12-25-17/h5-6,13,21H,3-4,7-12H2,1-2H3