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

Systemtic Name: 2-hex-2-ynoyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-hex-2-ynoyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-2-(1-oxohex-2-ynyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-hex-2-ynoyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-hex-2-ynoyl-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C28H28N2O5 MolecularWeight: 472.53232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCC#CC(=O)N1CCC2=C(C1C(=O)O)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O5/c1-3-4-6-11-25(31)30-16-14-20-12-13-22(18-23(20)26(30)28(32)33)34-17-15-24-19(2)35-27(29-24)21-9-7-5-8-10-21/h5,7-10,12-13,18,26H,3-4,14-17H2,1-2H3,(H,32,33)