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

Systemtic Name: (3,4-dichlorophenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: (3,4-dichlorophenyl)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 (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)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 (3,4-dichlorobenzyl) ester Formula: C16H17Cl2NO3 MolecularWeight: 342.21708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO3/c1-8-14(10(3)20)9(2)19-15(8)16(21)22-7-11-4-5-12(17)13(18)6-11/h4-6,10,19-20H,7H2,1-3H3/t10-/m0/s1