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

Systemtic Name: (2-cyanophenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-cyanobenzyl) ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H18N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)22-9-14-7-5-4-6-13(14)8-18/h4-7,12,19-20H,9H2,1-3H3/t12-/m0/s1