4-methanoyl-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 4-methanoyl-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-formyl-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 4-formyl-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-formyl-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-formyl-2,5-dimethyl-1-(2,4,6-trimethylbenzyl)pyrrole-3-carboxylic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2C(=C(C(=C2C)C(=O)O)C=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2C(=C(C(=C2C)C(=O)O)C=O)C)C

InChI

InChI=1S/C18H21NO3/c1-10-6-11(2)15(12(3)7-10)8-19-13(4)16(9-20)17(14(19)5)18(21)22/h6-7,9H,8H2,1-5H3,(H,21,22)