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

Systemtic Name: 3-chloranyl-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-chloro-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxo-ethyl]benzamide CAS Name: 3-chloro-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxoethyl]benzamide IUPAC Name: 3-chloro-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide Traditional Name: 3-chloro-N-[2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-2-keto-ethyl]benzamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-3-27-18-9-15-7-13(2)28-19(15)10-16(18)11-23-20(25)12-24-21(26)14-5-4-6-17(22)8-14/h4-6,8-10,13H,3,7,11-12H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1