[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H18N2O5/c1-2-14(25-18(22)12-4-3-7-19-11-12)17(21)20-13-5-6-15-16(10-13)24-9-8-23-15/h3-7,10-11,14H,2,8-9H2,1H3,(H,20,21)