7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzylsulfonyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-benzylsulfonyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-benzylsulfonyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C29H28N2O6S MolecularWeight: 532.60742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(CC(N(C4)S(=O)(=O)CC5=CC=CC=C5)C(=O)O)C=C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC4=C(CC(N(C4)S(=O)(=O)CC5=CC=CC=C5)C(=O)O)C=C3

InChI

InChI=1S/C29H28N2O6S/c1-20-26(30-28(37-20)22-10-6-3-7-11-22)14-15-36-25-13-12-23-17-27(29(32)33)31(18-24(23)16-25)38(34,35)19-21-8-4-2-5-9-21/h2-13,16,27H,14-15,17-19H2,1H3,(H,32,33)