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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-(methylcarbamoyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-(methylcarbamoyl)quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-6-(methylcarbamoyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-6-(methylcarbamoyl)quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-3-27-21(26)15-10-23-16-6-4-12(20(25)22-2)8-14(16)19(15)24-13-5-7-17-18(9-13)29-11-28-17/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24)