4-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]butanoic acid

Systemtic Name: 4-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]butanoic acid Openeye Name: 4-[1-(isoxazol-5-ylmethyl)indol-3-yl]butanoic acid CAS Name: 4-[1-(5-isoxazolylmethyl)-3-indolyl]butanoic acid IUPAC Name: 4-[1-(1,2-oxazol-5-ylmethyl)indol-3-yl]butanoic acid Traditional Name: 4-[1-(isoxazol-5-ylmethyl)indol-3-yl]butyric acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=NO3)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=NO3)CCCC(=O)O

InChI

InChI=1S/C16H16N2O3/c19-16(20)7-3-4-12-10-18(11-13-8-9-17-21-13)15-6-2-1-5-14(12)15/h1-2,5-6,8-10H,3-4,7,11H2,(H,19,20)