3-phenylmethoxycarbonyl-3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,5,6,7-tetrahydro-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 3-phenylmethoxycarbonyl-3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,5,6,7-tetrahydro-1H-isoquinoline-4-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-3-[2-(2-phenyloxazol-4-yl)ethoxy]-2,5,6,7-tetrahydro-1H-isoquinoline-4-carboxylic acid CAS Name: 3-phenylmethoxycarbonyl-3-[2-(2-phenyl-4-oxazolyl)ethoxy]-2,5,6,7-tetrahydro-1H-isoquinoline-4-carboxylic acid IUPAC Name: 3-phenylmethoxycarbonyl-3-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,5,6,7-tetrahydro-1H-isoquinoline-4-carboxylic acid Traditional Name: 3-carbobenzoxy-3-[2-(2-phenyloxazol-4-yl)ethoxy]-2,5,6,7-tetrahydro-1H-isoquinoline-4-carboxylic acid Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2CNC(C(=C2C1)C(=O)O)(C(=O)OCC3=CC=CC=C3)OCCC4=COC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC=C2CNC(C(=C2C1)C(=O)O)(C(=O)OCC3=CC=CC=C3)OCCC4=COC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O6/c32-27(33)25-24-14-8-7-13-22(24)17-30-29(25,28(34)36-18-20-9-3-1-4-10-20)37-16-15-23-19-35-26(31-23)21-11-5-2-6-12-21/h1-6,9-13,19,30H,7-8,14-18H2,(H,32,33)