N-[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-phenyl-propanamide

Systemtic Name: N-[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-phenyl-propanamide Openeye Name: N-[3-(3-bromopropoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-phenyl-propanamide CAS Name: N-[3-(3-bromopropoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-phenylpropanamide IUPAC Name: N-[3-(3-bromopropoxy)-4-chloro-1-oxoisochromen-7-yl]-3-phenylpropanamide Traditional Name: N-[3-(3-bromopropoxy)-4-chloro-1-keto-isochromen-7-yl]-3-phenyl-propionamide Formula: C21H19BrClNO4 MolecularWeight: 464.73686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

InChI

InChI=1S/C21H19BrClNO4/c22-11-4-12-27-21-19(23)16-9-8-15(13-17(16)20(26)28-21)24-18(25)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,24,25)