[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic 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] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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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(=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4/c1-12(2)19(24)22-17-9-7-14(8-10-17)18(23)13(3)26-20(25)15-5-4-6-16(21)11-15/h4-13H,1-3H3,(H,22,24)/t13-/m0/s1