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

Systemtic Name: 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-(2-oxidanylidenebutanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-2-(2-oxobutanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-(1,2-dioxobutyl)-7-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-(2-oxobutanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-(2-ketobutanoyl)-7-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6/c1-3-22(29)25(30)28-13-11-17-9-10-19(15-20(17)23(28)26(31)32)33-14-12-21-16(2)34-24(27-21)18-7-5-4-6-8-18/h4-10,15,23H,3,11-14H2,1-2H3,(H,31,32)