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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-cyclohexyl-quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-cyclohexyl-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-6-cyclohexyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-cyclohexylquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-6-cyclohexyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCO4)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC4=C(C=C3)OCO4)C5CCCCC5

InChI

InChI=1S/C25H26N2O4/c1-2-29-25(28)20-14-26-21-10-8-17(16-6-4-3-5-7-16)12-19(21)24(20)27-18-9-11-22-23(13-18)31-15-30-22/h8-14,16H,2-7,15H2,1H3,(H,26,27)