[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 2-oxidanylbenzoate

Systemtic Name: [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 2-oxidanylbenzoate Openeye Name: [(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)OC(=O)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)[C@H](C)OC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C22H20ClNO4/c1-13-12-19(14(2)24(13)17-10-8-16(23)9-11-17)21(26)15(3)28-22(27)18-6-4-5-7-20(18)25/h4-12,15,25H,1-3H3/t15-/m0/s1