ethyl 3-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonylamino]-5-methyl-hexanoate

Systemtic Name: ethyl 3-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonylamino]-5-methyl-hexanoate Openeye Name: ethyl 3-[[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]amino]-5-methyl-hexanoate CAS Name: 3-[[[5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-oxomethyl]amino]-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carbonyl]amino]-5-methylhexanoate Traditional Name: 3-[[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]amino]-5-methyl-hexanoic acid ethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C)C)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)CC(CC(C)C)NC(=O)C1=NOC(=C1)COC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H27N3O5/c1-4-29-22(27)11-17(10-15(2)3)25-23(28)20-12-18(31-26-20)14-30-21-7-5-6-16-13-24-9-8-19(16)21/h5-9,12-13,15,17H,4,10-11,14H2,1-3H3,(H,25,28)