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

Systemtic Name: (3-methylphenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: m-tolylmethyl 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-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)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-methylbenzyl) ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=C(C(=C(N2)C)C(C)O)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=C(C(=C(N2)C)[C@H](C)O)C

InChI

InChI=1S/C17H21NO3/c1-10-6-5-7-14(8-10)9-21-17(20)16-11(2)15(13(4)19)12(3)18-16/h5-8,13,18-19H,9H2,1-4H3/t13-/m0/s1