2-azanyl-N-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-phenyl-propanamide CAS Name: 2-amino-N-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]-3-phenylpropanamide Traditional Name: 2-amino-N-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]-3-phenyl-propionamide Formula: C20H18BrClN2O4 MolecularWeight: 465.72492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl)N

InChI

InChI=1S/C20H18BrClN2O4/c21-8-9-27-20-17(22)14-7-6-13(11-15(14)19(26)28-20)24-18(25)16(23)10-12-4-2-1-3-5-12/h1-7,11,16H,8-10,23H2,(H,24,25)