[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N2O5/c1-3-29-21-11-17-10-15(2)31-22(17)12-18(21)13-25-23(27)14-30-24(28)20-9-8-16-6-4-5-7-19(16)26-20/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H,25,27)/t15-/m0/s1