ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-quinoline-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-quinoline-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylquinoline-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H20N2O4/c1-3-25-21(24)16-12-22-17-6-4-13(2)10-15(17)20(16)23-14-5-7-18-19(11-14)27-9-8-26-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23)