[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)C)OC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C23H21NO6/c1-13(2)22(27)24-16-10-8-15(9-11-16)21(26)14(3)29-23(28)20-12-18(25)17-6-4-5-7-19(17)30-20/h4-14H,1-3H3,(H,24,27)/t14-/m0/s1