2-azanyl-2-[4-[4-(oxan-2-yloxy)but-1-ynyl]phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[4-(oxan-2-yloxy)but-1-ynyl]phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-2-[4-(4-tetrahydropyran-2-yloxybut-1-ynyl)benzoyl]butanoic acid CAS Name: 2-amino-2-[[4-[4-(2-oxanyloxy)but-1-ynyl]phenyl]-oxomethyl]butanoic acid IUPAC Name: 2-amino-2-[4-[4-(oxan-2-yloxy)but-1-ynyl]benzoyl]butanoic acid Traditional Name: 2-amino-2-[4-(4-tetrahydropyran-2-yloxybut-1-ynyl)benzoyl]butyric acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)C#CCCOC2CCCCO2)(C(=O)O)N

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)C#CCCOC2CCCCO2)(C(=O)O)N

InChI

InChI=1S/C20H25NO5/c1-2-20(21,19(23)24)18(22)16-11-9-15(10-12-16)7-3-5-13-25-17-8-4-6-14-26-17/h9-12,17H,2,4-6,8,13-14,21H2,1H3,(H,23,24)