3-[(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid Openeye Name: 3-[(3-formyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid CAS Name: 3-[(3-formyl-2,5-dimethyl-1-pyrrolyl)methyl]benzoic acid IUPAC Name: 3-[(3-formyl-2,5-dimethylpyrrol-1-yl)methyl]benzoic acid Traditional Name: 3-[(3-formyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC(=C2)C(=O)O)C)C=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC(=C2)C(=O)O)C)C=O

InChI

InChI=1S/C15H15NO3/c1-10-6-14(9-17)11(2)16(10)8-12-4-3-5-13(7-12)15(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)