[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H25NO6/c26-22(25-11-5-1-2-6-12-25)16-31-24(28)19-8-4-3-7-18(19)23(27)17-9-10-20-21(15-17)30-14-13-29-20/h3-4,7-10,15H,1-2,5-6,11-14,16H2