[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H20N2O5/c1-13-11-17(16-5-3-4-6-18(16)23-13)22(26)29-14(2)21(25)24-15-7-8-19-20(12-15)28-10-9-27-19/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,25)