4-[(5-methyl-2-oxidanylidene-3-prop-2-enyl-oxolan-3-yl)carbonylcarbamoylamino]benzoic acid

Systemtic Name: 4-[(5-methyl-2-oxidanylidene-3-prop-2-enyl-oxolan-3-yl)carbonylcarbamoylamino]benzoic acid Openeye Name: 4-[(3-allyl-5-methyl-2-oxo-tetrahydrofuran-3-carbonyl)carbamoylamino]benzoic acid CAS Name: 4-[[[[(5-methyl-2-oxo-3-prop-2-enyl-3-oxolanyl)-oxomethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid Traditional Name: 4-[(3-allyl-2-keto-5-methyl-tetrahydrofuran-3-carbonyl)carbamoylamino]benzoic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18N2O6/c1-3-8-17(9-10(2)25-15(17)23)14(22)19-16(24)18-12-6-4-11(5-7-12)13(20)21/h3-7,10H,1,8-9H2,2H3,(H,20,21)(H2,18,19,22,24)