5-[1-[2-(3-oxidanyl-2-propanoyl-phenoxy)ethyl]indol-6-yl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[1-[2-(3-oxidanyl-2-propanoyl-phenoxy)ethyl]indol-6-yl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[1-[2-(3-hydroxy-2-propanoyl-phenoxy)ethyl]indol-6-yl]isoxazole-3-carboxylic acid CAS Name: 5-[1-[2-[3-hydroxy-2-(1-oxopropyl)phenoxy]ethyl]-6-indolyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[1-[2-(3-hydroxy-2-propanoylphenoxy)ethyl]indol-6-yl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[1-[2-(3-hydroxy-2-propionyl-phenoxy)ethyl]indol-6-yl]isoxazole-3-carboxylic acid Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC=C1OCCN2C=CC3=C2C=C(C=C3)C4=CC(=NO4)C(=O)O)O

Isomeric SMILES

CCC(=O)C1=C(C=CC=C1OCCN2C=CC3=C2C=C(C=C3)C4=CC(=NO4)C(=O)O)O

InChI

InChI=1S/C23H20N2O6/c1-2-18(26)22-19(27)4-3-5-20(22)30-11-10-25-9-8-14-6-7-15(12-17(14)25)21-13-16(23(28)29)24-31-21/h3-9,12-13,27H,2,10-11H2,1H3,(H,28,29)