[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5/c1-5-24(31-21-9-7-6-8-10-21)25(28)30-16-23(27)22-15-17(2)26(18(22)3)19-11-13-20(29-4)14-12-19/h6-15,24H,5,16H2,1-4H3/t24-/m1/s1