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

Systemtic Name: 2-(phenylcarbonyl)-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-benzoyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-benzoyl-7-[2-(2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-benzoyl-7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-benzoyl-7-[2-(2-phenyloxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H24N2O5/c31-27(20-9-5-2-6-10-20)30-17-22-15-24(12-11-21(22)16-25(30)28(32)33)34-14-13-23-18-35-26(29-23)19-7-3-1-4-8-19/h1-12,15,18,25H,13-14,16-17H2,(H,32,33)