[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [(1R)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H23NO4/c1-13(2)20(24)22-18-11-9-16(10-12-18)19(23)15(4)26-21(25)17-7-5-14(3)6-8-17/h5-13,15H,1-4H3,(H,22,24)/t15-/m1/s1