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

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic 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-formylbenzoate Traditional Name: 4-formylbenzoic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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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=C(C=C2)C=O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-13(2)20(25)22-18-10-8-16(9-11-18)19(24)14(3)27-21(26)17-6-4-15(12-23)5-7-17/h4-14H,1-3H3,(H,22,25)/t14-/m0/s1