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

Systemtic Name: (2,5-dimethylphenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: (2,5-dimethylphenyl)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 (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)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 (2,5-dimethylbenzyl) ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-10-6-7-11(2)15(8-10)9-22-18(21)17-12(3)16(14(5)20)13(4)19-17/h6-8,14,19-20H,9H2,1-5H3/t14-/m0/s1