ethyl 4-(1,3-benzodioxol-5-ylamino)-6-ethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-ethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-ethoxy-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-6-ethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-ethoxyquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-6-ethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O5/c1-3-25-14-6-7-17-15(10-14)20(16(11-22-17)21(24)26-4-2)23-13-5-8-18-19(9-13)28-12-27-18/h5-11H,3-4,12H2,1-2H3,(H,22,23)