[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO5/c1-3-23(4-2)18-9-6-16(7-10-18)22(25)28-15-19(24)17-8-11-20-21(14-17)27-13-5-12-26-20/h6-11,14H,3-5,12-13,15H2,1-2H3