ethyl 8-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylate

Systemtic Name: ethyl 8-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylate Openeye Name: ethyl 8-amino-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylate CAS Name: 8-amino-4-(1,3-benzodioxol-5-ylmethylamino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-4-(1,3-benzodioxol-5-ylmethylamino)quinoline-3-carboxylate Traditional Name: 8-amino-4-(piperonylamino)quinoline-3-carboxylic acid ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC3=CC4=C(C=C3)OCO4)C=CC=C2N

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC3=CC4=C(C=C3)OCO4)C=CC=C2N

InChI

InChI=1S/C20H19N3O4/c1-2-25-20(24)14-10-23-19-13(4-3-5-15(19)21)18(14)22-9-12-6-7-16-17(8-12)27-11-26-16/h3-8,10H,2,9,11,21H2,1H3,(H,22,23)