6-methyl-4-oxidanyl-4-[(1-oxidanylidene-3H-2-benzofuran-5-yl)carbamoyl]-6-phenyl-hept-2-ynoic acid

Systemtic Name: 6-methyl-4-oxidanyl-4-[(1-oxidanylidene-3H-2-benzofuran-5-yl)carbamoyl]-6-phenyl-hept-2-ynoic acid Openeye Name: 4-hydroxy-6-methyl-4-[(1-oxo-3H-isobenzofuran-5-yl)carbamoyl]-6-phenyl-hept-2-ynoic acid CAS Name: 4-hydroxy-6-methyl-4-[oxo-[(1-oxo-3H-isobenzofuran-5-yl)amino]methyl]-6-phenyl-2-heptynoic acid IUPAC Name: 4-hydroxy-6-methyl-4-[(1-oxo-3H-2-benzofuran-5-yl)carbamoyl]-6-phenylhept-2-ynoic acid Traditional Name: 4-hydroxy-4-[(1-ketophthalan-5-yl)carbamoyl]-6-methyl-6-phenyl-hept-2-ynoic acid Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#CC(=O)O)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC(C#CC(=O)O)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)O)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO6/c1-22(2,16-6-4-3-5-7-16)14-23(29,11-10-19(25)26)21(28)24-17-8-9-18-15(12-17)13-30-20(18)27/h3-9,12,29H,13-14H2,1-2H3,(H,24,28)(H,25,26)