methyl 3-[(2S)-7-chloranyl-2-[(pyridin-3-ylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate

Systemtic Name: methyl 3-[(2S)-7-chloranyl-2-[(pyridin-3-ylcarbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[(2S)-7-chloro-2-[(pyridine-3-carbonylamino)methyl]-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[(2S)-7-chloro-2-[[[oxo(3-pyridinyl)methyl]amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-7-chloro-2-[(pyridine-3-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[(2S)-7-chloro-2-(nicotinamidomethyl)coumaran-5-yl]benzoic acid methyl ester Formula: C23H19ClN2O4 MolecularWeight: 422.86096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H19ClN2O4/c1-29-23(28)15-5-2-4-14(8-15)17-9-18-10-19(30-21(18)20(24)11-17)13-26-22(27)16-6-3-7-25-12-16/h2-9,11-12,19H,10,13H2,1H3,(H,26,27)/t19-/m0/s1