2-benzamido-8-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-oct-4-ynoic acid

Systemtic Name: 2-benzamido-8-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-oct-4-ynoic acid Openeye Name: 2-benzamido-8-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)oct-4-ynoic acid CAS Name: 2-benzamido-8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-4-octynoic acid IUPAC Name: 2-benzamido-8-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyoct-4-ynoic acid Traditional Name: 2-benzamido-8-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)oct-4-ynoic acid Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OCCCC#CCC(C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)O)OCCCC#CCC(C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H23NO6/c1-19(2,18(24)25)26-13-9-4-3-8-12-15(17(22)23)20-16(21)14-10-6-5-7-11-14/h5-7,10-11,15H,4,9,12-13H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)