2-[4-[4-(furan-2-yl)but-3-ynylamino]phenyl]carbonyl-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[4-[4-(furan-2-yl)but-3-ynylamino]phenyl]carbonyl-2-oxidanyl-butanedioic acid Openeye Name: 2-[4-[4-(2-furyl)but-3-ynylamino]benzoyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[4-[4-(2-furanyl)but-3-ynylamino]phenyl]-oxomethyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[4-[4-(furan-2-yl)but-3-ynylamino]benzoyl]-2-hydroxybutanedioic acid Traditional Name: 2-[4-[4-(2-furyl)but-3-ynylamino]benzoyl]-2-hydroxy-succinic acid Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=COC(=C1)C#CCCNC2=CC=C(C=C2)C(=O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H17NO7/c21-16(22)12-19(26,18(24)25)17(23)13-6-8-14(9-7-13)20-10-2-1-4-15-5-3-11-27-15/h3,5-9,11,20,26H,2,10,12H2,(H,21,22)(H,24,25)