methyl 5-[(2S)-2-(2-cyanophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-(2-cyanophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(2-cyanophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(2-cyanophenoxy)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(2-cyanophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2-cyanophenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC2=CC=CC=C2C#N

InChI

InChI=1S/C18H18N2O4/c1-10-15(18(22)23-4)11(2)20-16(10)17(21)12(3)24-14-8-6-5-7-13(14)9-19/h5-8,12,20H,1-4H3/t12-/m0/s1