2-(4-bromanylphenoxy)carbonyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-bromanylphenoxy)carbonyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-bromophenoxy)carbonyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-bromophenoxy)-oxomethyl]-7-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-bromophenoxy)carbonyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-bromophenoxy)carbonyl-7-[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(CC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)Br)C(=O)O

InChI

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