2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxylic acid Openeye Name: 1-(3-isopropylphenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(3-propan-2-ylphenyl)-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxylic acid Traditional Name: 1-m-cumenyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(C)C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(C)C)C)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-10(2)13-6-5-7-14(9-13)17-11(3)8-15(12(17)4)16(18)19/h5-10H,1-4H3,(H,18,19)