N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-phenyl-propanamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-phenyl-propanamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-3-phenyl-propanamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-3-phenylpropanamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-3-phenyl-propionamide Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)O1)Cl

InChI

InChI=1S/C21H20ClNO4/c1-2-12-26-21-19(22)16-10-9-15(13-17(16)20(25)27-21)23-18(24)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,23,24)