[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O3/c1-15-9-10-16(2)24(15)20-13-11-18(12-14-20)22(26)27-17(3)21(25)23-19-7-5-4-6-8-19/h4-14,17H,1-3H3,(H,23,25)/t17-/m1/s1