5-methoxy-4-[[4-(4-oxidanylbut-1-ynyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-methoxy-4-[[4-(4-oxidanylbut-1-ynyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-5-methoxy-5-oxo-pentanoic acid CAS Name: 4-[[[4-(4-hydroxybut-1-ynyl)phenyl]-oxomethyl]amino]-5-methoxy-5-oxopentanoic acid IUPAC Name: 4-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-5-methoxy-5-oxopentanoic acid Traditional Name: 4-[[4-(4-hydroxybut-1-ynyl)benzoyl]amino]-5-keto-5-methoxy-valeric acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)C#CCCO

Isomeric SMILES

COC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)C#CCCO

InChI

InChI=1S/C17H19NO6/c1-24-17(23)14(9-10-15(20)21)18-16(22)13-7-5-12(6-8-13)4-2-3-11-19/h5-8,14,19H,3,9-11H2,1H3,(H,18,22)(H,20,21)