ethyl 7-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methyl-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methyl-quinoline-3-carboxylate CAS Name: 7-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylquinoline-3-carboxylate Traditional Name: 7-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-3-26-21(25)15-11-23-19-12(2)16(22)6-5-14(19)20(15)24-13-4-7-17-18(10-13)28-9-8-27-17/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,24)