[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H21NO4/c1-17-24(26(28)30-16-19-15-29-22-13-7-8-14-23(22)31-19)20-11-5-6-12-21(20)27-25(17)18-9-3-2-4-10-18/h2-14,19H,15-16H2,1H3/t19-/m1/s1