2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]quinoline-4-carboxylate

Systemtic Name: 2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]quinoline-4-carboxylate Openeye Name: 2-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]quinoline-4-carboxylate CAS Name: 2-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-4-quinolinecarboxylate IUPAC Name: 2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]quinoline-4-carboxylate Traditional Name: 2-[(2S)-2-methylcoumaran-5-yl]cinchoninate Formula: C19H14NO3- MolecularWeight: 304.31936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC2=C(O1)C=CC(=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C19H15NO3/c1-11-8-13-9-12(6-7-18(13)23-11)17-10-15(19(21)22)14-4-2-3-5-16(14)20-17/h2-7,9-11H,8H2,1H3,(H,21,22)/p-1/t11-/m0/s1