ethyl 2-[2-(4-bromophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-oxidanyl-ethanoate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-oxidanyl-ethanoate Openeye Name: ethyl 2-[2-(4-bromophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxy-acetate CAS Name: 2-[2-(4-bromophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxyacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxyacetate Traditional Name: 2-[2-(4-bromophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-hydroxy-acetic acid ethyl ester Formula: C25H22BrNO3 MolecularWeight: 464.35108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2C=C(N1C3=CC=C(C=C3)Br)C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2C=C(N1C3=CC=C(C=C3)Br)C4=CC=CC=C4)O

InChI

InChI=1S/C25H22BrNO3/c1-2-30-25(29)24(28)23-21-11-7-6-10-18(21)16-22(17-8-4-3-5-9-17)27(23)20-14-12-19(26)13-15-20/h3-16,23-24,28H,2H2,1H3