2-(4-bromanylphenoxy)carbonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-bromanylphenoxy)carbonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-bromophenoxy)carbonyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-bromophenoxy)-oxomethyl]-1-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-bromophenoxy)carbonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-bromophenoxy)carbonyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H23BrN2O6 MolecularWeight: 563.39602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=CC=CC=C21)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1C(N(C(C2=CC=CC=C21)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C28H23BrN2O6/c29-20-10-12-22(13-11-20)37-28(34)31-24(27(32)33)16-19-8-4-5-9-23(19)26(31)35-15-14-21-17-36-25(30-21)18-6-2-1-3-7-18/h1-13,17,24,26H,14-16H2,(H,32,33)