ethyl 5-[(2S)-2-[4-(4-cyanophenyl)phenoxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-[4-(4-cyanophenyl)phenoxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[4-(4-cyanophenyl)phenoxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[4-(4-cyanophenyl)phenoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[4-(4-cyanophenyl)phenoxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-(4-cyanophenyl)phenoxy]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C25H24N2O4/c1-5-30-25(29)22-15(2)23(27-16(22)3)24(28)17(4)31-21-12-10-20(11-13-21)19-8-6-18(14-26)7-9-19/h6-13,17,27H,5H2,1-4H3/t17-/m0/s1