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

Systemtic Name: 3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-(2-oxidanylidenebutanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 3-[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)-3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 3-[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)-3-[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)N1C(CC2=CC=CC=C2C1C(=O)O)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)C(=O)N1C(CC2=CC=CC=C2C1C(=O)O)OCCC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

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