5-(butoxymethyl)-3-(3-cyanophenyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 5-(butoxymethyl)-3-(3-cyanophenyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-(butoxymethyl)-3-(3-cyanophenyl)-4H-isoxazole-5-carboxylic acid CAS Name: 5-(butoxymethyl)-3-(3-cyanophenyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-(butoxymethyl)-3-(3-cyanophenyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-(butoxymethyl)-3-(3-cyanophenyl)-2-isoxazoline-5-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CCCCOCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-2-3-7-21-11-16(15(19)20)9-14(18-22-16)13-6-4-5-12(8-13)10-17/h4-6,8H,2-3,7,9,11H2,1H3,(H,19,20)