1-aminocarbonyl-2-(phenylmethyl)-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-aminocarbonyl-2-(phenylmethyl)-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-1-carbamoyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 1-carbamoyl-2-(phenylmethyl)-1-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-benzyl-1-carbamoyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-1-carbamoyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydroisoquinoline-3-carboxylic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=CC=CC=C21)(C(=O)N)OCCC3=COC(=N3)C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(N(C(C2=CC=CC=C21)(C(=O)N)OCCC3=COC(=N3)C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H27N3O5/c30-28(35)29(37-16-15-23-19-36-26(31-23)21-11-5-2-6-12-21)24-14-8-7-13-22(24)17-25(27(33)34)32(29)18-20-9-3-1-4-10-20/h1-14,19,25H,15-18H2,(H2,30,35)(H,33,34)