[(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-phenylbenzoate

Systemtic Name: [(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-phenylbenzoate Openeye Name: [(1S)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(1S)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O3/c1-14(20(25)24-19-12-11-18(22)13-23-19)27-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3,(H,23,24,25)/t14-/m0/s1