[(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [(1S)-2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC=C2NCC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=CC=C2NCC3=CC=CO3

InChI

InChI=1S/C21H18ClNO4/c1-14(20(24)15-6-4-7-16(22)12-15)27-21(25)18-9-2-3-10-19(18)23-13-17-8-5-11-26-17/h2-12,14,23H,13H2,1H3/t14-/m0/s1