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

Systemtic Name: 4-methanoyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-formyl-2,5-dimethyl-1-(p-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-formyl-2,5-dimethyl-1-(4-methylbenzyl)pyrrole-3-carboxylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-10-4-6-13(7-5-10)8-17-11(2)14(9-18)15(12(17)3)16(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)