2-(carboxymethyl)-1-methyl-4-phenethyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-methyl-4-phenethyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-methyl-4-phenethyl-pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-1-methyl-4-phenethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-1-methyl-4-phenethylpyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-1-methyl-4-phenethyl-pyrrole-3-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1CC(=O)O)C(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C(=C1CC(=O)O)C(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4/c1-17-10-12(8-7-11-5-3-2-4-6-11)15(16(20)21)13(17)9-14(18)19/h2-6,10H,7-9H2,1H3,(H,18,19)(H,20,21)