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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3C4=CC=CC=C4CC(N3S(=O)(=O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3C4=CC=CC=C4CC(N3S(=O)(=O)CC5=CC=CC=C5)C(=O)O

InChI

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