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

Systemtic Name: 2-(phenylmethyl)sulfonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzylsulfonyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(phenylmethyl)sulfonyl-1-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-benzylsulfonyl-1-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-benzylsulfonyl-1-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O6S/c31-28(32)25-17-22-13-7-8-14-24(22)27(30(25)37(33,34)19-20-9-3-1-4-10-20)35-16-15-23-18-36-26(29-23)21-11-5-2-6-12-21/h1-14,18,25,27H,15-17,19H2,(H,31,32)