1-piperidin-4-ylpentyl 5-azanyl-6-iodanyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: 1-piperidin-4-ylpentyl 5-azanyl-6-iodanyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: 1-(4-piperidyl)pentyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid 1-(4-piperidinyl)pentyl ester IUPAC Name: 1-piperidin-4-ylpentyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid 1-(4-piperidyl)pentyl ester Formula: C19H27IN2O4 MolecularWeight: 474.33315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCNCC1)OC(=O)C2=CC(=C(C3=C2OCCO3)N)I

Isomeric SMILES

CCCCC(C1CCNCC1)OC(=O)C2=CC(=C(C3=C2OCCO3)N)I

InChI

InChI=1S/C19H27IN2O4/c1-2-3-4-15(12-5-7-22-8-6-12)26-19(23)13-11-14(20)16(21)18-17(13)24-9-10-25-18/h11-12,15,22H,2-10,21H2,1H3