2-azanyl-2-[4-[2-(4-methylphenyl)ethynyl]furan-2-yl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[2-(4-methylphenyl)ethynyl]furan-2-yl]carbonyl-butanoic acid Openeye Name: 2-amino-2-[4-[2-(p-tolyl)ethynyl]furan-2-carbonyl]butanoic acid CAS Name: 2-amino-2-[[4-[2-(4-methylphenyl)ethynyl]-2-furanyl]-oxomethyl]butanoic acid IUPAC Name: 2-amino-2-[4-[2-(4-methylphenyl)ethynyl]furan-2-carbonyl]butanoic acid Traditional Name: 2-amino-2-[4-[2-(p-tolyl)ethynyl]-2-furoyl]butyric acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CO1)C#CC2=CC=C(C=C2)C)(C(=O)O)N

Isomeric SMILES

CCC(C(=O)C1=CC(=CO1)C#CC2=CC=C(C=C2)C)(C(=O)O)N

InChI

InChI=1S/C18H17NO4/c1-3-18(19,17(21)22)16(20)15-10-14(11-23-15)9-8-13-6-4-12(2)5-7-13/h4-7,10-11H,3,19H2,1-2H3,(H,21,22)