2,4,5-trimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2,4,5-trimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2,4,5-trimethyl-pyrrole-3-carboxylic acid CAS Name: 2,4,5-trimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,4,5-trimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,4,5-trimethyl-pyrrole-3-carboxylic acid Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)O)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)O)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C15H17NO2/c1-10-11(2)16(12(3)14(10)15(17)18)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,17,18)