[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C)OC3=CC=CC=C3

InChI

InChI=1S/C24H25NO4/c1-4-23(29-20-13-9-6-10-14-20)24(27)28-16-22(26)21-15-17(2)25(18(21)3)19-11-7-5-8-12-19/h5-15,23H,4,16H2,1-3H3/t23-/m1/s1