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

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl pyridine-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic 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=CC=NC=C3

Isomeric SMILES

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

InChI

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